Norbuprenorphine glucuronide

CAS Registry Number®

469887-29-4
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CAS Name

Norbuprenorphine glucuronide

Molecular Formula

C31H43NO10

Molecular Mass

589.67

Cite this Page

Norbuprenorphine glucuronide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=469887-29-4 (retrieved 2024-04-24) (CAS RN: 469887-29-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=OOLGGESLZHGXGC-TXYLTYGDSA-N

SMILES

O(C)[C@@]12[C@]3([C@@]45[C@@]([C@@](CC6=C4C(O3)=C(O[C@@H]7O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]7O)C=C6)(NCC5)[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(NCCC457)C3)C(O)C(O)C1O

Other Names for this Substance

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

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