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Substance Name: Valnemulin [INN:BAN]
RN: 101312-92-9
UNII: 2AHC415BQG
InChIKey: LLYYNOVSVPBRGV-MVNKZKPCSA-N

Note

  • A pleuromutilin derivative.

Molecular Formula

  • C31-H52-N2-O5-S

Molecular Weight

  • 564.8268
 
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Names and Synonyms

Name of Substance

  • Valnemulin
  • Valnemulin [INN:BAN]

Synonyms

  • ((2-((R)-2-Amino-3-methylbutyramido)-1,1-dimethylethyl)thio)acetic acid, 8-ester with (3aS,4R,5S,6S,8R,9R,9aR,10R)-octahydro-5,8-dihydroxy-4,6,9,10-tetramethyl-6-vinyl-3a,9-propano-3aH-cyclopentacycloocten-1(4H)-one
  • Econor
  • UNII-2AHC415BQG
  • Valnemulin

Registry Numbers

CAS Registry Number

  • 101312-92-9

FDA UNII

  • 2AHC415BQG

System Generated Number

  • 0101312929

Structure Descriptors

InChI

1S/C31H52N2O5S/c1-10-29(8)15-22(38-23(35)16-39-28(6,7)17-33-27(37)24(32)18(2)3)30(9)19(4)11-13-31(20(5)26(29)36)14-12-21(34)25(30)31/h10,18-20,22,24-26,36H,1,11-17,32H2,2-9H3,(H,33,37)/t19-,20+,22-,24-,25+,26+,29-,30+,31+/m1/s1

InChIKey

LLYYNOVSVPBRGV-MVNKZKPCSA-N

Smiles

CC(C)[C@@H](N)C(=O)NCC(C)(C)SCC(=O)O[C@@H]1C[C@@](C)(C=C)[C@@H](O)[C@H](C)[C@@]23CC[C@@H](C)[C@]1(C)[C@@H]2C(=O)CC3