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Substance Name: Isoquino(2,1-d)(1,4)benzodiazepine, 7,9,10,14b-tetrahydro-3-chloro-12,13-dimethoxy-6-(p-tolyl)-
RN: 82802-91-3
InChIKey: KYERHVMBMFQSFC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H25-Cl-N2-O2

Molecular Weight

  • 432.9485
 
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Names and Synonyms

Synonym

  • 3-Chloro-12,13-dimethoxy-6-(p-tolyl)-7,9,10,14b-tetrahydroisoquino(2,1-d)(1,4)benzodiazepine

Systematic Name

  • Isoquino(2,1-d)(1,4)benzodiazepine, 7,9,10,14b-tetrahydro-3-chloro-12,13-dimethoxy-6-(p-tolyl)-

Registry Numbers

CAS Registry Number

  • 82802-91-3

System Generated Number

  • 0082802913

Structure Descriptors

InChI

1S/C26H25ClN2O2/c1-16-4-6-17(7-5-16)23-15-29-11-10-18-12-24(30-2)25(31-3)14-21(18)26(29)20-9-8-19(27)13-22(20)28-23/h4-9,12-14,26H,10-11,15H2,1-3H3

InChIKey

KYERHVMBMFQSFC-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)C2=Nc3cc(ccc3C4c5cc(c(cc5CCN4C2)OC)OC)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 3gm/kg (3000mg/kg)   Farmaco, Edizione Scientifica. Vol. 37, Pg. 555, 1982.