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Substance Name: Bevirimat dimeglumine [USAN]
RN: 823821-85-8
UNII: O6DDV91W1M
InChIKey: TXIOIJSYWOLKNU-FLQODOFBSA-N

Classification Code

  • Treatment of HIV Infection

Molecular Formulas

  • C36-H56-O6.2C7-H17-N-O5
  • C50-H90-N2-O16

Molecular Weight

  • 975.259
 
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Names and Synonyms

Name of Substance

  • Bevirimat dimeglumine [USAN]

Synonyms

  • Bevirimat dimeglumine
  • DSB*2NMG
  • MPC-4326
  • PA-457
  • PA-457 di-NMG
  • PA-457N
  • PA103001
  • PA103001-01
  • PA103001-04
  • UNII-O6DDV91W1M

Systematic Name

  • 3-(3-Carboxy-3-methyl-1-oxobutoxy)-, (3-beta)-, compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:2)

Registry Numbers

CAS Registry Number

  • 823821-85-8

FDA UNII

  • O6DDV91W1M

System Generated Number

  • 0823821858

Structure Descriptors

InChI

1S/C36H56O6.2C7H17NO5/c1-21(2)22-12-17-36(30(40)41)19-18-34(8)23(28(22)36)10-11-25-33(7)15-14-26(42-27(37)20-31(3,4)29(38)39)32(5,6)24(33)13-16-35(25,34)9;2*1-8-2-4(10)6(12)7(13)5(11)3-9/h22-26,28H,1,10-20H2,2-9H3,(H,38,39)(H,40,41);2*4-13H,2-3H2,1H3/t22-,23+,24-,25+,26-,28+,33-,34+,35+,36-;2*4-,5+,6+,7+/m000/s1

InChIKey

TXIOIJSYWOLKNU-FLQODOFBSA-N

Smiles

CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)O