Bretazenil

CAS Registry Number®

84379-13-5

CAS Name

Bretazenil

Molecular Formula

C19H20BrN3O3

Molecular Mass

418.28

Cite this Page

Bretazenil.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=84379-13-5 (retrieved 2025-01-28) (CAS RN: 84379-13-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3/t13-/m0/s1

InChIKey

InChIKey=LWUDDYHYYNNIQI-ZDUSSCGKSA-N

SMILES

C(OC(C)(C)C)(=O)C1=C2N(C=3C(C(=O)N4[C@]2(CCC4)[H])=C(Br)C=CC3)C=N1

Canonical SMILES

O=C(OC(C)(C)C)C=1N=CN2C=3C=CC=C(Br)C3C(=O)N4CCCC4C12

Other Names for this Substance

  • 9H-Imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepine-1-carboxylic acid, 8-bromo-11,12,13,13a-tetrahydro-9-oxo-, 1,1-dimethylethyl ester, (13aS)-
  • 9H-Imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepine-1-carboxylic acid, 8-bromo-11,12,13,13a-tetrahydro-9-oxo-, 1,1-dimethylethyl ester, (S)-
  • Ro 16-6028
  • Bretazenil
  • Ro 16-6028/000