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Substance Name: 1,4-Ethano-1H-pyrido(3,2-b)(1,5)benzodiazepine, 2,3,4,4a,5,10,11,11a-octahydro-10-acetyl-
RN: 72031-18-6
InChIKey: KQQXIFZIEYWBOS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H21-N3-O

Molecular Weight

  • 271.3619
 
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Names and Synonyms

Synonyms

  • 10-Acetyl-4a,5,11,11a-tetrahydro-10H-quinuclidino(2,3-c)-1,5-benzodiazepine
  • 2,3,4,4a,5,10,11,11a-Octahydro-10-acetyl-1,4-ethano-1H-pyrido(3,2-b)(1,5)benzodiazepine

Systematic Name

  • 1,4-Ethano-1H-pyrido(3,2-b)(1,5)benzodiazepine, 2,3,4,4a,5,10,11,11a-octahydro-10-acetyl-

Registry Numbers

CAS Registry Number

  • 72031-18-6

System Generated Number

  • 0072031186

Structure Descriptors

InChI

1S/C16H21N3O/c1-11(20)19-10-15-16(12-6-8-18(15)9-7-12)17-13-4-2-3-5-14(13)19/h2-5,12,15-17H,6-10H2,1H3

InChIKey

KQQXIFZIEYWBOS-UHFFFAOYSA-N

Smiles

CC(=O)N1CC2C(C3CCN2CC3)Nc4c1cccc4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 250mg/kg (250mg/kg)   Pharmaceutical Chemistry Journal Vol. 13, Pg. 819, 1979.