Lorazepam glucuronide

CAS Registry Number®

32781-79-6

CAS Name

Lorazepam glucuronide

Molecular Formula

C21H18Cl2N2O8

Molecular Mass

497.28

Cite this Page

Lorazepam glucuronide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=32781-79-6 (retrieved 2024-12-03) (CAS RN: 32781-79-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H18Cl2N2O8/c22-8-5-6-12-10(7-8)13(9-3-1-2-4-11(9)23)25-19(18(29)24-12)33-21-16(28)14(26)15(27)17(32-21)20(30)31/h1-7,14-17,19,21,26-28H,(H,24,29)(H,30,31)/t14-,15-,16+,17-,19?,21-/m0/s1

InChIKey

InChIKey=IWOJSSFCRQKNKN-IFBJMGMISA-N

SMILES

ClC1=C(C=2C=3C(NC(=O)C(O[C@@H]4O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]4O)N2)=CC=C(Cl)C3)C=CC=C1

Canonical SMILES

O=C(O)C1OC(OC2N=C(C=3C=CC=CC3Cl)C=4C=C(Cl)C=CC4NC2=O)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, 7-chloro-5-(2-chlorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepin-3-yl
  • Glucopyranosiduronic acid, 7-chloro-5-(o-chlorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepin-3-yl, β-D-
  • 1H-1,4-Benzodiazepine, β-D-glucopyranosiduronic acid deriv.
  • 7-Chloro-5-(2-chlorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepin-3-yl β-D-glucopyranosiduronic acid
  • Lorazepam glucuronide

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