Basic information
- CAS
83047-45-4- Standard SMILES
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O.Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C- InChIKey
LUDXWSVNRXAANN-YZPBMOCRSA-N- Molecular formula
- C48H80N4O16S
- Average molar mass
- 1,001.2 g/mol
- Monoisotopic mass
- 1,000.52900365
Names & identifiers
- Preferred name
- Erythromycin/sulfisoxazole
- IUPAC
- 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
Names & synonyms
Erythromycin / sulfisoxazoleSCHEMBL252446183047-45-4Benzenesulfonamide, 4-amino-N-(3,4-dimethyl-5-isoxazolyl)-, mixt. with erythromycinErythromycin, mixt. with 4-amino-N-(3,4-dimethyl-5-isoxazolyl)benzenesulfonamideErythromycin, 2-amino-5-((aminoacetyl)methylamino)-2,3,5-trideoxy-1-O-(2,6-diamino-2,3,4,6,7-pentadeoxy-beta-L-lyxo-heptopyranosyl)-, (1alpha,2beta,2aalpha,3aalpha)-
Database identifiers
- CAS
83047-45-4- PubChem CID
- 84006
Properties
Computed structural properties
- Topological polar surface area
- 301 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 10
- Heavy atoms
- 69
- Formal charge
- 0
- Complexity
- 1,550
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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