Oxazepam glucuronide

CAS Registry Number®

6801-81-6

CAS Name

Oxazepam glucuronide

Molecular Formula

C21H19ClN2O8

Molecular Mass

462.84

Cite this Page

Oxazepam glucuronide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6801-81-6 (retrieved 2024-11-26) (CAS RN: 6801-81-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H19ClN2O8/c22-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)24-19(18(28)23-12)32-21-16(27)14(25)15(26)17(31-21)20(29)30/h1-8,14-17,19,21,25-27H,(H,23,28)(H,29,30)/t14-,15-,16+,17-,19?,21-/m0/s1

InChIKey

InChIKey=FIKQKGFUBZQEBL-IFBJMGMISA-N

SMILES

O(C1N=C(C=2C(NC1=O)=CC=C(Cl)C2)C3=CC=CC=C3)[C@@H]4O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]4O

Canonical SMILES

O=C(O)C1OC(OC2N=C(C=3C=CC=CC3)C=4C=C(Cl)C=CC4NC2=O)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, 7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl
  • Glucopyranosiduronic acid, 7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl, β-D-
  • 1H-1,4-Benzodiazepine, β-D-glucopyranosiduronic acid deriv.
  • 7-Chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl β-D-glucopyranosiduronic acid
  • Oxazepam glucuronide

Deleted or Replaced CAS Registry Numbers

28472-99-3, 899814-58-5

CAS INSIGHTSTM
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