Sulfanizolone
Basic information
- CAS
79028-51-6- Standard SMILES
CC(=O)NS(=O)(=O)c1ccc(N)cc1.C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO- InChIKey
OMDDHTUXQGALKO-WDCKKOMHSA-N- Molecular formula
- C29H38N2O8S
- Average molar mass
- 574.7 g/mol
- Monoisotopic mass
- 574.23488735
Names & identifiers
- Preferred name
- Sulfanizolone
- IUPAC
- N-(4-aminophenyl)sulfonylacetamide;(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
- English name
- sulfanizolone
- Molecular formula
- C29H38N2O8S
- Molecular weight
- 574.69
Names & synonyms
Sulfanizolone79028-51-6Pregna-1,4-diene-3,20-dione, 11,17,21-trihydroxy-, (11beta)-, mixt. with N-((4-aminophenyl)sulfonyl)acetamideRefChem:186529Prednisolone sodium phosphate and Sulfacetamide sodiumSCHEMBL2526700DTXSID201000203N-(4-aminophenyl)sulfonylacetamide;(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-oneN-(4-Aminobenzene-1-sulfonyl)ethanimidic acid--11,17,21-trihydroxypregna-1,4-diene-3,20-dione (1/1)N-(4-Aminobenzene-1-sulfonyl)ethanimidic acid--11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione (1/1)
Database identifiers
- CAS
79028-51-6- PubChem CID
- 133153
- DTXSID
DTXSID201000203
Properties
Computed structural properties
- Topological polar surface area
- 192 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,020
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Compound notes
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