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Substance Name: Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,6,7-tetrahydro-7-((dimethylamino)acetyl)-6-(2-phenylethyl)-, ethanedioate (1:1)
RN: 75643-16-2
InChIKey: JALHEKCYLOVNBA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H29-N3-O.C2-H2-O4

Molecular Weight

  • 501.5799
 
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Names and Synonyms

  • Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,6,7-tetrahydro-7-((dimethylamino)acetyl)-6-(2-phenylethyl)-, ethanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 75643-16-2

System Generated Number

  • 0075643162

Molecular Formulas

Molecular Formula

  • C27-H29-N3-O.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C27-H29-N3-O
  • COMPONENT

Structure Descriptors

InChI

1S/C27H29N3O.C2H2O4/c1-28(2)19-26(31)30-23(16-15-20-9-4-3-5-10-20)22-12-8-11-21-17-18-29(27(21)22)24-13-6-7-14-25(24)30;3-1(4)2(5)6/h3-14,23H,15-19H2,1-2H3;(H,3,4)(H,5,6)

InChIKey

JALHEKCYLOVNBA-UHFFFAOYSA-N

Smiles

CN(C)CC(=O)N1c2ccccc2N3CCc4c3c(ccc4)C1CCc5ccccc5.C(=O)(C(=O)O)O

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.