| Identification | Back Directory | [Name]
Lefamulin | [CAS]
1061337-51-6 | [Synonyms]
BC 3781
Lefamulin
Lefamulin(BC-3781)
2-[[(1R,2R,4R)-4-Amino-2-hydroxycyclohexyl]thio]acetic acid (3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-yl ester
Acetic acid, 2-[[(1R,2R,4R)-4-amino-2-hydroxycyclohexyl]thio]-, (3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-yl ester | [Molecular Formula]
C28H45NO5S | [MDL Number]
MFCD28963989 | [MOL File]
1061337-51-6.mol | [Molecular Weight]
507.73 |
| Chemical Properties | Back Directory | [Boiling point ]
618.6±55.0 °C(Predicted) | [density ]
1.19±0.1 g/cm3(Predicted) | [solubility ]
DMF: 16 mg/mL; DMSO: 12 mg/mL; Ethanol: 3 mg/mL; PBS (pH 7.2): 0.25 mg/mL | [form ]
A solid | [pka]
14.45±0.60(Predicted) | [InChIKey]
KPVIXBKIJXZQJX-FCEONZPQSA-N | [SMILES]
C(O[C@@H]1C[C@](C=C)(C)[C@@H](O)[C@H](C)[C@@]23CC[C@@H](C)[C@]1(C)[C@]2([H])C(=O)CC3)(=O)CS[C@@H]1CC[C@@H](N)C[C@H]1O |
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