Basic information
- CAS
6201-80-5- Standard SMILES
Nc1ccc(C(=O)Nc2cc(S(=O)(=O)O)cc(C(=O)O)c2O)cc1- InChIKey
DSANWMATXAFGTP-UHFFFAOYSA-N- Molecular formula
- C14H12N2O7S
- Average molar mass
- 352.32 g/mol
- Monoisotopic mass
- 352.0365219
Names & identifiers
- Preferred name
- 3-((4-Aminobenzoyl)amino)-5-sulphosalicylic acid
- IUPAC
- 3-[(4-aminobenzoyl)amino]-2-hydroxy-5-sulfobenzoic acid
- English name
- 3-[(4-aminobenzoyl)amino]-5-sulphosalicylic acid
- Molecular formula
- C14H12N2O7S
- Molecular weight
- 352.31928
Names & synonyms
6201-80-53-((4-Aminobenzoyl)amino)-5-sulphosalicylic acid3-[(4-aminobenzoyl)amino]-2-hydroxy-5-sulfobenzoic acid3-(4-AMINOBENZAMIDO)-2-HYDROXY-5-SULFOBENZOIC ACIDEINECS 228-260-2DTXSID50211063DSANWMATXAFGTP-UHFFFAOYSA-NNS00034890Mesalamine Impurity 163-(4'-Aminobenzoylamino)-5-sulfosalicylsure3-[(4-aminobenzoyl)amino]-5-sulphosalicylic acid2-hydroxy-3-(4-aminobenzamido)-5-sulfobenzoic acid
Show more names
3-(4-Aminobenzoylamino)-5-sulfo-2-hydroxybenzoic acidBenzoic acid, 3-[(4-aminobenzoyl)amino]-2-hydroxy-5-sulfo-
Database identifiers
- CAS
6201-80-5- PubChem CID
- 80334
- DTXSID
DTXSID50211063- EC Number
- 228-260-2
- Nikkaji
- J64.462E
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 175 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 580
Physicochemical properties
- Density
- 1.724 · 1.724±0.06 g/cm3(Predicted)
- pka
- -0.77 · -0.77±0.50(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers5 total
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
山东博洛达生物科技有限公司0531-68651502 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
南京华诺生物医药科技有限公司17715262260 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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