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Substance Name: Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,6,7-tetrahydro-7-(4-(dimethylamino)-1-oxobutyl)-6-methyl-, monohydrochloride
RN: 74116-93-1
InChIKey: XPGPHGCYQOVVQP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H27-N3-O.Cl-H

Molecular Weight

  • 385.9362
 
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Names and Synonyms

  • Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,6,7-tetrahydro-7-(4-(dimethylamino)-1-oxobutyl)-6-methyl-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 74116-93-1

System Generated Number

  • 0074116931

Molecular Formulas

Molecular Formula

  • C22-H27-N3-O.Cl-H

Molecular Formula Fragments

  • C22-H27-N3-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H27N3O.ClH/c1-16-18-9-6-8-17-13-15-24(22(17)18)19-10-4-5-11-20(19)25(16)21(26)12-7-14-23(2)3;/h4-6,8-11,16H,7,12-15H2,1-3H3;1H

InChIKey

XPGPHGCYQOVVQP-UHFFFAOYSA-N

Smiles

CC1c2cccc3c2N(CC3)c4ccccc4N1C(=O)CCCN(C)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal > 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 23, Pg. 1380, 1980.