Basic information
- CAS
91-45-2- Standard SMILES
Nc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc4c(O)cc(S(=O)(=O)O)cc4c3)cc2)cc1- InChIKey
ZRLIGKOKBJUIIR-UHFFFAOYSA-N- Molecular formula
- C24H19N3O6S
- Average molar mass
- 477.5 g/mol
- Monoisotopic mass
- 477.09945651
Names & identifiers
- Preferred name
- 2-Naphthalenesulfonic acid, 7-[p-(p-aminobenzamido)benzamido]-4-hydroxy-
- IUPAC
- 7-[[4-[(4-aminobenzoyl)amino]benzoyl]amino]-4-hydroxynaphthalene-2-sulfonic acid
Names & synonyms
91-45-2CHEMBL4833022-Naphthalenesulfonic acid, 7-[p-(p-aminobenzamido)benzamido]-4-hydroxy-7-[4-(4-aminobenzamido)benzamido]-4-hydroxynaphthalene-2-sulfonic acidp-Aminobenzoyl PAB-J acid7-(4-(4-aminobenzamido)benzamido)-4-hydroxynaphthalene-2-sulfonic acidNSC17417-[[4-[(4-aminobenzoyl)amino]benzoyl]amino]-4-hydroxynaphthalene-2-sulfonic acidSCHEMBL14413308DTXSID80277339NSC-1741BDBM50271699
Show more names
6-(P-(P-AMINOBENZAMIDO)BENZAMIDO)-1-NAPHTHOL-3-SULFONIC ACID, TECHDS-0134952-Naphthalenesulfonic acid, 7-[[4-[(4-aminobenzoyl)amino]benzoyl]amino]-4-hydroxy-
Database identifiers
- CAS
91-45-2- PubChem CID
- 219925
- DTXSID
DTXSID80277339- ChEMBL
CHEMBL483302
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 167 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 830
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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