COMPOUND GROUP NAME | POPULATION STATUS | DATE POPULATED | DESCRIPTION | PROFILE TYPE | # MEMBERS | # HAZARDS |
---|---|---|---|---|---|---|
Naphazoline and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Neodymium and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Neostigmine and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 2 | 1 | |
Nerium oleander its extracts and its glycosides, Oleandrin | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Nickel compounds, inorganic | complete | This compound group is defined by the SMILES/SMARTS string "[Ni] subtract [Ni].C" and populated from a substructure search of PubChem. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 507 | 1 | |
Nickel compounds, oxidic | complete | This compound group is defined by the SMILES/SMARTS string "O=[Ni]" and populated from a substructure search of PubChem. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. "including nickel oxide, nickel-copper oxide, nickel silicate oxides, and complex oxides" |
structure | 29 | 28 | |
Nickel compounds, sulfidic | incomplete | This compound group has not yet been assigned a structural definition. | structure | 6 | 28 | |
Nickel, other organic compounds | incomplete | This compound group is defined by the SMILES string 'C[Ni]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | structure | 31 | 0 | |
Nitrites, inorganic, except sodium nitrite | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Nitrocresols and their alkali metal salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
nitrotoluidines | incomplete | This compound group has not yet been assigned a structural definition. |
structure | 1 | 0 | |
Nitroxoline and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Noradrenaline and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Noscapine and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
O-PHENYLENEDIAMINE SALTS | in progress | This compound group is defined by the SMILES string '[CH]1=[CH][CH]=[C]([C](=[CH]1)[ND1])[ND1]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 2 | 3 | |
Octamoxin and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Octamylamine and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Octodrine and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 2 | 1 | |
ORGANOPHOSPHOROUS COMPOUNDS | complete | 09/13/18 | This compound group is defined by the SMILES string 'POC'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 3174 | 1 |
Oxanamide and its derivatives | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Oxpheneridine and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
p-Phenylenediamine and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 2 | 1 | |
Parethoxycaine and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Pemoline and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Pentachlorophenol salts and esters | complete | This compound group is defined by a substructure search of PubChem the SMILES/SMARTS string "C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[OD1] plus C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[O]C(C)=O". The setting "Remove any explicit hydrogens before searching" was deselected from each substructure search. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 118 | 12 | |
Perchlorates | incomplete | This compound group has not yet been assigned a structural definition and is incomplete. |
structure | 25 | 1 | |
Perfluorobutane sulfonic acid (PFBS) and its salts | incomplete | This compound group has not yet been formally defined. |
structure | 12 | 10 | |
Perfluorooctane sulfonates (PFOS) | complete | This compound group is defined by the SMILES/SMARTS string "C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F" and populated from a substructure search of PubChem. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 41 | 32 | |
Perfluorooctane sulfonyls | incomplete | Compounds that contain one of the following groups: C8F17SO2-, C8F17SO3- or C8F17SO2N-. |
structure | 1 | 18 | |
PERFLUOROOCTANOATE (PFOA, C-8) SALTS | incomplete | Salts of perfluorooctanoic acid (PFOA). |
structure | 2 | 24 | |
Phenmetrazine, its derivatives and salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Phenothiazine and its compounds | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Phenyl arsenic compounds | in progress | This compound group is defined by the SMILES string '[As][CH]1=[CH][CH]=C([CH]=[CH]1)'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 0 | 37 | |
Phenyltin compounds | in progress | This compound group is defined by the SMILES string 'C1=CC=C(C=C1)[Sn]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | structure | 234 | 15 | |
PHTHALATES (orthophthalates) | complete | This compound group is defined by a substructure search of PubChem using the SMILES string 'COC(=O)c1[cH][cH][cH][cH]c1C(=O)OC'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 639 | 12 | |
Pipazetate and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Pipradrol and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
polyethlyenepolyamines | incomplete | This compound group has not yet been assigned a structural definition. |
structure | 1 | 0 | |
POLYISOCYANATE COMPOUNDS | complete | 07/24/17 | This compound group is defined by the SMARTS string ([NX2:2]=[C:1]=[OX1:3].[NX2:2]=[C:1]=[OX1:3]), subtracting any compounds whose name contains "polymer". This SMARTS search unfortunately captures polymers made from isocyanates, because their structures are often represented by individual monomers. For more information on SMARTS, see https://en.wikipedia.org/wiki/Smiles_arbitrary_target_specification. |
structure | 575 | 3 |
Procainamide, its salts and derivatives | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
salts of 2,4-D | incomplete | This compound group has not yet been assigned a structural definition. |
structure | 3 | 5 | |
salts of 2,4-DB | incomplete | This compound group has not yet been assigned a structural definition. |
structure | 1 | 3 | |
Salts of 3,3'-dichlorobenzidine | complete | This compound group is defined by the SMILES string '[CH1]1=[CH1]C(=C([CH1]=C1C2=[CH1]C(=C([CH1]=[CH1]2)[ND1])[ClD1])[ClD1])[ND1]'. The setting "Remove any explicit hydrogens before searching" was deselected from the substructure search. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 9 | 11 | |
Salts of 3,3'-dimethoxybenzidine | complete | This compound group is defined by a substructure search of PubChem the SMILES/SMARTS string "[CH1]1=[CH1]C(=C([CH1]=C1C2=[CH1]C(=C([CH1]=[CH1]2)[ND1])O[CH3])O[CH3])[ND1]". The setting "Remove any explicit hydrogens before searching" was deselected from the substructure search. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 5 | 8 | |
Salts of 4-aminobiphenyl | complete | This compound group is defined by the SMILES string '[CH1]1=[CH1][CH1]=C([CH1]=[CH1]1)C2=[CH1][CH1]=C([CH1]=[CH1]2)[ND1]'. The setting "Remove any explicit hydrogens before searching" was deselected from the substructure search. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 6 | 11 | |
salts of 4,4'-bi-o-toluidine, salts of 3,3'-dimethylbenzidine, salts of o-tolidine | incomplete | This compound group is defined by a substructure search of PubChem the SMILES/SMARTS string "[CH3]C1=C([CH1]=[CH1]C(=[CH1]1)C2=[CH1]C(=C([CH1]=[CH1]2)[ND1])[CH3])[ND1]". The setting "Remove any explicit hydrogens before searching" was deselected from the substructure search. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 9 | 5 | |
Salts of 4,4'-methylenebis(2-chloroaniline) | complete | This compound group is defined by the SMILES/SMARTS string "[C;D2]1=[C;D2]C(=C([C;D2]=C1[C;D2]C2=[C;D2]C(=C([C;D2]=[C;D2]2)[N;D1])[Cl;D1])[Cl;D1])[N;D1]" and populated from a substructure search of PubChem. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 4 | 12 | |
salts of 4,4'-thiodianiline | complete | This compound group is defined by a substructure search of PubChem the SMILES/SMARTS string "[CH1]1=[CH1]C(=[CH1][CH1]=C1[SD2]C2=[CH1][CH1]=C([CH1]=[CH1]2)[ND1])[ND1]". The setting "Remove any explicit hydrogens before searching" was deselected from the substructure search. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 2 | 5 | |
Salts of aniline | in progress | This compound group is defined by the SMILES string '[CH]1=[CH][CH]=C([CH]=[CH]1)[NH2]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 5 | 14 | |
salts of ephedrine | incomplete | This compound group has not yet been assigned a structural definition. |
structure | 1 | 2 | |
salts of fenoprop, salts of 2-(2,4,5-trichlorophenoxy)propionic acid | incomplete | This compound group has not yet been assigned a structural definition. |
structure | 0 | 5 | |
salts of mecoprop | incomplete | This compound group has not yet been assigned a structural definition. |
structure | 0 | 5 | |
salts of nicotine | incomplete | This compound group has not yet been assigned a structural definition. |
structure | 1 | 6 | |
salts of papaverine | incomplete | This compound group has not yet been assigned a structural definition. |
structure | 0 | 1 | |
salts of strychnine | incomplete | This compound group has not yet been assigned a structural definition. |
structure | 1 | 10 | |
salts of thiocyanic acid | incomplete | This compound group has not yet been assigned a structural definition. |
structure | 1 | 0 | |
Sparteine and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Strophantines, their aglucones and derivatives | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Tefazoline and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Terephthalates | incomplete | Terephthalates whose toxicology studies we have reviewed to date don't share the hazards that are common to studied orthophthalates. This is thought to be due to the fact that terephthalates are unlikely to break down to a toxic monoester. Orthophthalates are capable of breaking down to a toxic monoester. |
structure | 16 | 0 | |
Tetrabenazine and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Tetracain and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
tetrachloroplatinates | incomplete | This compound group has not yet been assigned a structural definition. |
structure | 1 | 1 | |
Tetrahydrozoline and its salts, Tetryzoline | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Thalidomide and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Thiourea and its derivatives | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Thyropropic acid and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Toluene Diisocyanate (TDI) Compounds | incomplete | This compound group is defined by the SMILES string 'CC1=C(C=C(C=C1))N=C=O'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. The MAK list populates this group with the following three compounds (none of the CASRN are valid) Toluene‐2,4‐diisocyanate [584‐84‐9], Toluene‐2,6‐diisocyanate [91‐08‐7], mixture [26471‐62‐5] |
structure | 9 | 7 | |
Toxic Metals | structure | 10566 | 0 | |||
trialkylboranes | incomplete | This compound group has not yet been assigned a structural definition. |
structure | 0 | 2 | |
Triamterene and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Tributyltin compounds | in progress | This compound group is defined by the SMILES string '[CH3][CH2][CH2][CH2][Sn]([CH2][CH2][CH2][CH3])[CH2][CH2][CH2][CH3]' subtracting '[CH3][CH2][CH2][CH2][Sn]([CH2][CH2][CH2][CH3])([CH2][CH2][CH2][CH3])[CH2][CH2][CH2][CH3]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 123 | 35 | |
TRIBUTYLTIN ESTERS | incomplete | This compound group has not yet been assigned a structural definition. | structure | 0 | 35 | |
TRIBUTYLTIN SALTS | incomplete | This compound group has not yet been assigned a structural definition. | structure | 0 | 35 | |
triethyltin compounds | in progress | This compound group is defined by the SMILES string '[CH3][CH2][Sn]([CH2][CH3])([CH2][CH3])'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 1 | 13 | |
trimethyltin compounds | in progress | This compound group is defined by the SMILES string '[CH3][Sn]([CH3])([CH3])'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 3 | 18 | |
Trioctyltin compounds | in progress | This compound group is defined by the SMILES string 'CCCCCCCC[Sn](CCCCCCCC)(CCCCCCCC)'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 121 | 20 | |
Triorganotin compounds | incomplete | This compound group was populated from the 2016 GADSL list at http://www.gadsl.org/ as well as subgroups. |
structure | 194 | 13 | |
TRIPHENYLTIN COMPOUNDS | in progress | This compound group is defined by the SMILES string 'C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)C3=CC=CC=C3'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 6 | 29 | |
tripropyltin compounds | in progress | This compound group is defined by the SMILES string '[CH3][CH2][CH2][Sn]([CH2][CH2][CH3])([CH2][CH2][CH3])'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 1 | 15 | |
Tuaminoheptane, its isomers and salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Xylometazoline and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Yohimbine and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Zinc chromates | complete | This compound group is defined by a substructure search of PubChem the SMILES/SMARTS string "[O-][Cr](=O)(=O)[O-].[Zn+2]". For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 27 | 20 | |
ALUMINUM COMPOUNDS | in progress | This compound group is populated from some of the aluminum compounds in Pharos. The AOEC listing is applied to the specific chemicals listed in their database rather than the entire group. |
element | 104 | 5 | |
Antimony Compounds | complete | 06/06/18 | This compound group is defined by the SMILES string '[Sb]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
element | 978 | 22 |
ARSENIC COMPOUNDS | in progress | This compound group is defined by the SMILES string '[As]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | element | 2342 | 36 | |
BARIUM COMPOUNDS | in progress | This compound group is defined by the SMILES string '[Ba]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | element | 73 | 6 | |
BERYLLIUM COMPOUNDS | in progress | This compound group is defined by the SMILES string '[Be]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. This definition is based on the scope of the IARC listing, most recently in monograph 100C: "Synonyms and molecular formulae for beryllium, beryllium–aluminium and beryllium– copper alloys, and certain beryllium compounds are presented in Table 1.1. The list is not exhaustive, nor does it comprise necessarily the most commercially important beryllium-containing substances; rather, it indicates the range of beryllium compounds available." |
element | 140 | 17 | |
BORON COMPOUNDS | incomplete | This compound group is defined by the SMILES string '[B]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | element | 247 | 4 | |
CADMIUM COMPOUNDS | in progress | This compound group is defined by the SMILES string '[Cd]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | element | 499 | 48 | |
Cerium Compounds | complete | 07/31/18 | This compound group is defined by the SMILES string '[Ce]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
element | 349 | 1 |
CHROMIUM (III) COMPOUNDS | complete | 11/17/17 | This compound group is defined by the SMILES string '[Cr+3]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | element | 383 | 8 |
Chromium Compounds | incomplete | This compound group is defined by the SMILES string '[Cr]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
element | 535 | 4 | |
COBALT COMPOUNDS | complete | This compound group is defined by the SMILES/SMARTS string "[Co]" and populated from a substructure search of PubChem.. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
element | 1657 | 23 | |
Copper compounds | incomplete | This compound group is populated with copper metal, and a limited number of copper salts and alloys. |
element | 7 | 5 | |
Germanium Compounds | complete | 08/09/18 | This compound group is defined by the SMILES string '[Ge]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
element | 1206 | 1 |
Gold salts | complete | 04/01/21 | This compound group was populated using a substructure search of PubChem using the SMILES string [Au]. |
element | 495 | 1 |
Hafnium compounds | in progress | This compound group is defined by the SMILES string '[Hf]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | element | 1 | 0 | |
LEAD COMPOUNDS | in progress | This compound group is defined by the SMILES string '[Pb]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | element | 1143 | 49 |