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Substance Name: Lefamulin, (1S,2S,4S)-
RN: 1061337-55-0
UNII: 61H04Z5F9K
InChIKey: KPVIXBKIJXZQJX-VEPQWPQHSA-N

Molecular Formula

  • C28-H45-N-O5-S

Molecular Weight

  • 507.7315
 
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Names and Synonyms

Name of Substance

  • Lefamulin, (1S,2S,4S)-

Synonyms

  • Acetic acid, 2-(((1S,2S,4S)-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, (1S,2S,4S)-
  • UNII-61H04Z5F9K

Registry Numbers

CAS Registry Number

  • 1061337-55-0

FDA UNII

  • 61H04Z5F9K

System Generated Number

  • 1061337550

Structure Descriptors

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

KPVIXBKIJXZQJX-VEPQWPQHSA-N

Smiles

C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@]1(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]3C)OC(=O)CS[C@H]4CC[C@H](N)C[C@@H]4O