(8-Chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)methyl β-D-glucopyranosiduronic acid

CAS Registry Number®

144964-58-9

CAS Name

(8-Chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)methyl β-D-glucopyranosiduronic acid

Molecular Formula

C23H21ClN4O7

Molecular Mass

500.89

Cite this Page

(8-Chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)methyl β-D-glucopyranosiduronic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=144964-58-9 (retrieved 2025-03-30) (CAS RN: 144964-58-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H21ClN4O7/c24-12-6-7-14-13(8-12)17(11-4-2-1-3-5-11)25-9-15-26-27-16(28(14)15)10-34-23-20(31)18(29)19(30)21(35-23)22(32)33/h1-8,18-21,23,29-31H,9-10H2,(H,32,33)/t18-,19-,20+,21-,23+/m0/s1

InChIKey

InChIKey=RVFFPZASOVCVMN-KHYDEXNFSA-N

SMILES

C(O[C@@H]1O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]1O)C=2N3C=4C(C(=NCC3=NN2)C5=CC=CC=C5)=CC(Cl)=CC4

Canonical SMILES

O=C(O)C1OC(OCC2=NN=C3N2C=4C=CC(Cl)=CC4C(=NC3)C=5C=CC=CC5)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)methyl
  • 4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine, β-D-glucopyranosiduronic acid deriv.
  • (8-Chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)methyl β-D-glucopyranosiduronic acid
  • α-Hydroxyalprazolam glucuronide

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