Basic information
- CAS
40951-76-6- Standard SMILES
Nc1ccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)cc1- InChIKey
ZCQMYMXRGJWSHH-UHFFFAOYSA-N- Molecular formula
- C20H15N3O5S
- Average molar mass
- 409.4 g/mol
- Monoisotopic mass
- 409.07324176
Names & identifiers
- Preferred name
- 2-Anthracenesulfonic acid, 1-amino-4-((4-aminophenyl)amino)-9,10-dihydro-9,10-dioxo-
- IUPAC
- 1-amino-4-(4-aminoanilino)-9,10-dioxoanthracene-2-sulfonic acid
- English name
- 1-amino-4-(4-aminoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid
- Molecular formula
- C20H15N3O5S
- Molecular weight
- 409.4152
Names & synonyms
2-Anthracenesulfonic acid, 1-amino-4-[(4-aminophenyl)amino]-9,10-dihydro-9,10-dioxo-EINECS 228-308-2DTXSID30641442-Anthracenesulfonic acid, 1-amino-4-((4-aminophenyl)amino)-9,10-dihydro-9,10-dioxo-RefChem:465284DTXCID80432826222-65-7P2Y12 antagonist 11-Amino-4-(4-aminoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid1-amino-4-(4-aminoanilino)-9,10-dioxoanthracene-2-sulfonic acid1-Amino-4-(4-aminoanilino)anthraquinone-2-sulfonic acid40951-76-6
Show more names
1-Amino-4-(4-aminoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulfonic acid1-amino-4-(4-aminophenylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid1-Amino-4-[(4-aminophenyl)amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid
Sodium 1-amino-4-((4-aminophenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonateSodium 1-amino-4-[(4-aminophenyl)amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate7ZL3K2FYD6SYL-4orb1962208SCHEMBL2778161CHEMBL1208090SCHEMBL29354288
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 759
Physicochemical properties
- EPA Substance Registry System
- 2 · 2-Anthracenesulfonic acid, 1-amino-4-[(4-aminophenyl)amino]-9,10-dihydro-9,10-dioxo- (6222-65-7)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Anthracenesulfonic acid, 1-amino-4-[(4-aminophenyl)amino]-9,10-dihydro-9,10-dioxo-: INACTIVE
Applications
UsesP2Y12 antagonist 1 (compound 26) is a P2Y12 receptor antagonist with a Ki of 3.13 μM. P2Y12 antagonist 1 can be used to inhibit platelet aggregation and is a potential antithrombotic agent[1].
Upstream & downstream products
Downstream products
Suppliers5 total
Alfa Chemistry+1-5166625404 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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