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Substance Name: 1H-1,5-Benzodiazepine-2,5-dicarboxylic acid, 2,3,4,5-tetrahydro-2-methyl-4-phenyl-, 2-ethyl 5-methyl ester
RN: 98987-12-3
InChIKey: JLIBNONHZDKDIC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H24-N2-O4

Molecular Weight

  • 368.4306
 
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Names and Synonyms

  • 1H-1,5-Benzodiazepine-2,5-dicarboxylic acid, 2,3,4,5-tetrahydro-2-methyl-4-phenyl-, 2-ethyl 5-methyl ester

Registry Numbers

CAS Registry Number

  • 98987-12-3

System Generated Number

  • 0098987123

Structure Descriptors

InChI

1S/C21H24N2O4/c1-3-13-21(19(24)27-2)14-18(15-9-5-4-6-10-15)23(20(25)26)17-12-8-7-11-16(17)22-21/h4-12,18,22H,3,13-14H2,1-2H3,(H,25,26)

InChIKey

JLIBNONHZDKDIC-UHFFFAOYSA-N

Smiles

CCCC1(CC(N(c2ccccc2N1)C(=O)O)c3ccccc3)C(=O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2040mg/kg (2040mg/kg)   Polish Journal of Pharmacology and Pharmacy. Vol. 37, Pg. 69, 1985.