Lefamulin

CAS Registry Number®

1061337-51-6

CAS Name

Lefamulin

Molecular Formula

C28H45NO5S

Molecular Mass

507.73

Cite this Page

Lefamulin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1061337-51-6 (retrieved 2024-11-25) (CAS RN: 1061337-51-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H45NO5S/c1-6-26(4)14-22(34-23(32)15-35-21-8-7-18(29)13-20(21)31)27(5)16(2)9-11-28(17(3)25(26)33)12-10-19(30)24(27)28/h6,16-18,20-22,24-25,31,33H,1,7-15,29H2,2-5H3/t16-,17+,18-,20-,21-,22-,24+,25+,26-,27+,28+/m1/s1

InChIKey

InChIKey=KPVIXBKIJXZQJX-FCEONZPQSA-N

SMILES

C[C@@H]1[C@]23[C@]([C@](C)([C@H](OC(CS[C@H]4[C@H](O)C[C@H](N)CC4)=O)C[C@](C=C)(C)[C@H]1O)[C@H](C)CC2)(C(=O)CC3)[H]

Canonical SMILES

O=C(OC1CC(C=C)(C)C(O)C(C)C23CCC(=O)C2C1(C)C(C)CC3)CSC4CCC(N)CC4O

Other Names for this Substance

  • 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
  • Lefamulin
  • BC 3781

CAS INSIGHTSTM
Hourglass and a clock