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Substance Name: Norbuprenorphine 3-glucuronide
RN: 469887-29-4
UNII: YPZ2R0PR50
InChIKey: OOLGGESLZHGXGC-TXYLTYGDSA-N

Molecular Formula

  • C31-H43-N-O10

Molecular Weight

  • 589.6777
 
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Names and Synonyms

Name of Substance

  • Norbuprenorphine 3-glucuronide

Synonyms

  • beta-D-Glucopyranosiduronic acid, (5alpha,7alpha)-4,5-epoxy-18,19-dihydro-7-((1S)-1-hydroxy-1,2,2-trimethylpropyl)-6-methoxy-6,14-ethenomorphinan-3-yl
  • Norbuprenorphine 3-beta-D-glucuronide
  • Norbuprenorphine 3-glucuronide
  • Norbuprenorphine glucuronide
  • UNII-YPZ2R0PR50

Registry Numbers

CAS Registry Number

  • 469887-29-4

FDA UNII

  • YPZ2R0PR50

System Generated Number

  • 0469887294

Structure Descriptors

InChI

1S/C31H43NO10/c1-27(2,3)28(4,38)16-13-29-8-9-31(16,39-5)26-30(29)10-11-32-17(29)12-14-6-7-15(22(42-26)18(14)30)40-25-21(35)19(33)20(34)23(41-25)24(36)37/h6-7,16-17,19-21,23,25-26,32-35,38H,8-13H2,1-5H3,(H,36,37)/t16-,17-,19+,20+,21-,23+,25-,26-,28+,29-,30+,31-/m1/s1

InChIKey

OOLGGESLZHGXGC-TXYLTYGDSA-N

Smiles

C[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN[C@@H]3Cc6c5c(c(cc6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)O4)OC)(C(C)(C)C)O