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Substance Name: Buprenorphine-3-O-glucuronide
RN: 101224-22-0
UNII: L7FYM9GI97
InChIKey: CZULHKGIAJASAA-WWIHBJMFSA-N

Molecular Formula

  • C35-H49-N-O10

Molecular Weight

  • 643.7691
 
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Names and Synonyms

Name of Substance

  • Buprenorphine-3-O-glucuronide

Synonyms

  • B-3-G
  • UNII-L7FYM9GI97

Systematic Name

  • beta-D-Glucopyranosiduronic acid, (5alpha,7alpha-(S))-17-(cyclopropylmethyl)-4,5-epoxy-18,19-dihydro-7-(1-hydroxy-1,2,2-trimethylpropyl)-6-methoxy-6,14-ethenomorphinan-3-yl

Registry Numbers

CAS Registry Number

  • 101224-22-0

FDA UNII

  • L7FYM9GI97

System Generated Number

  • 0101224220

Structure Descriptors

InChI

1S/C35H49NO10/c1-31(2,3)32(4,42)20-15-33-10-11-35(20,43-5)30-34(33)12-13-36(16-17-6-7-17)21(33)14-18-8-9-19(26(46-30)22(18)34)44-29-25(39)23(37)24(38)27(45-29)28(40)41/h8-9,17,20-21,23-25,27,29-30,37-39,42H,6-7,10-16H2,1-5H3,(H,40,41)/t20-,21-,23+,24+,25-,27+,29-,30-,32+,33-,34+,35-/m1/s1

InChIKey

CZULHKGIAJASAA-WWIHBJMFSA-N

Smiles

CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]4Cc5ccc(O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(=O)O)c7O[C@@H]2[C@]3(CCN4CC8CC8)c57