4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine, 8-chloro-1-methyl-6-phenyl-, hydrate (1:2)

CAS Registry Number®

135748-32-2

CAS Name

4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine, 8-chloro-1-methyl-6-phenyl-, hydrate (1:2)

Molecular Formula

C17H13ClN4.2H2O

Cite this Page

4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine, 8-chloro-1-methyl-6-phenyl-, hydrate (1:2).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=135748-32-2 (retrieved 2024-11-25) (CAS RN: 135748-32-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H13ClN4.2H2O/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16;;/h2-9H,10H2,1H3;2*1H2

InChIKey

InChIKey=BTXVPVVNJNBVPC-UHFFFAOYSA-N

SMILES

CC=1N2C=3C(C(=NCC2=NN1)C4=CC=CC=C4)=CC(Cl)=CC3.O

Canonical SMILES

ClC=1C=CC2=C(C1)C(=NCC3=NN=C(N32)C)C=4C=CC=CC4.O

Other Names for this Substance

  • 4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine, 8-chloro-1-methyl-6-phenyl-, hydrate (1:2)
  • 4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine, 8-chloro-1-methyl-6-phenyl-, dihydrate
  • Alprazolam dihydrate

CAS INSIGHTSTM
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