Buprenorphine glucuronide

CAS Registry Number®

101224-22-0
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CAS Name

Buprenorphine glucuronide

Molecular Formula

C35H49NO10

Molecular Mass

643.76

Cite this Page

Buprenorphine glucuronide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=101224-22-0 (retrieved 2024-04-29) (CAS RN: 101224-22-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=CZULHKGIAJASAA-WWIHBJMFSA-N

SMILES

O(C)[C@@]12[C@]3([C@]45[C@@]([C@](N(CC6CC6)CC4)(CC7=C5C(O3)=C(O[C@@H]8O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]8O)C=C7)[H])(C[C@@]1([C@]([C@](C)(C)C)(C)O)[H])CC2)[H]

Canonical SMILES

O=C(O)C1OC(OC2=CC=C3C4=C2OC5C6(OC)CCC7(CC6C(O)(C)C(C)(C)C)C(N(CCC457)CC8CC8)C3)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (5α,7α)-17-(cyclopropylmethyl)-4,5-epoxy-18,19-dihydro-7-[(1S)-1-hydroxy-1,2,2-trimethylpropyl]-6-methoxy-6,14-ethenomorphinan-3-yl
  • (5α,7α)-17-(Cyclopropylmethyl)-4,5-epoxy-18,19-dihydro-7-[(1S)-1-hydroxy-1,2,2-trimethylpropyl]-6-methoxy-6,14-ethenomorphinan-3-yl β-D-glucopyranosiduronic acid
  • Buprenorphine 3-β-D-glucuronide
  • Buprenorphine 3-glucuronide
  • Buprenorphine glucuronide

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