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Substance Name: 1H-1,5-Benzodiazepine-2-carbonitrile, 7,7'-carbonylbis(2,3,4,5-tetrahydro-4-phenyl-
RN: 87896-40-0
InChIKey: DLDMTAZQYNDEHN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C33-H28-N6-O

Molecular Weight

  • 524.625
 
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Names and Synonyms

Synonyms

  • 7,7'-Carbonylbis(2,3,4,5-tetrahydro-4-phenyl-1H-1,5-benzodiazepine-2-carbonitrile)
  • AN-17

Systematic Name

  • 1H-1,5-Benzodiazepine-2-carbonitrile, 7,7'-carbonylbis(2,3,4,5-tetrahydro-4-phenyl-

Registry Numbers

CAS Registry Number

  • 87896-40-0

System Generated Number

  • 0087896400

Structure Descriptors

InChI

1S/C33H28N6O/c34-19-25-17-29(21-7-3-1-4-8-21)38-31-15-23(11-13-27(31)36-25)33(40)24-12-14-28-32(16-24)39-30(18-26(20-35)37-28)22-9-5-2-6-10-22/h1-16,25-26,29-30,36-39H,17-18H2

InChIKey

DLDMTAZQYNDEHN-UHFFFAOYSA-N

Smiles

c12c(N[C@@H](C#N)C[C@@H](N1)c1ccccc1)ccc(c2)C(c1cc2c(N[C@@H](C#N)C[C@@H](N2)c2ccccc2)cc1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1583mg/kg (1583mg/kg)   Polish Journal of Pharmacology and Pharmacy. Vol. 35, Pg. 89, 1983.
mouse LD50 oral > 3gm/kg (3000mg/kg)   Polish Journal of Pharmacology and Pharmacy. Vol. 35, Pg. 89, 1983.