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Substance Name: 1H-1,5-Benzodiazepine-2-carboxylic acid, 5,5'-(1,2-dioxo-1,2-ethanediyl)bis(2,3,4,5-tetrahydro-2-methyl-4-phenyl-, diethyl ester
RN: 144401-02-5
InChIKey: YDSAGAIIANWYCB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C40-H42-N4-O6

Molecular Weight

  • 674.7938
 
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Names and Synonyms

  • 1H-1,5-Benzodiazepine-2-carboxylic acid, 5,5'-(1,2-dioxo-1,2-ethanediyl)bis(2,3,4,5-tetrahydro-2-methyl-4-phenyl-, diethyl ester

Registry Numbers

CAS Registry Number

  • 144401-02-5

System Generated Number

  • 0144401025

Structure Descriptors

InChI

1S/C40H42N4O6/c1-5-49-37(47)39(3)25-33(27-17-9-7-10-18-27)43(31-23-15-13-21-29(31)41-39)35(45)36(46)44-32-24-16-14-22-30(32)42-40(4,38(48)50-6-2)26-34(44)28-19-11-8-12-20-28/h7-24,33-34,41-42H,5-6,25-26H2,1-4H3

InChIKey

YDSAGAIIANWYCB-UHFFFAOYSA-N

Smiles

CCOC(=O)C1(CC(N(c2ccccc2N1)C(=O)C(=O)N3c4ccccc4NC(CC3c5ccccc5)(C)C(=O)OCC)c6ccccc6)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 2gm/kg (2000mg/kg)   Polish Journal of Pharmacology and Pharmacy. Vol. 43, Pg. 495, 1991.
mouse LD50 oral > 2500mg/kg (2500mg/kg)   Polish Journal of Pharmacology and Pharmacy. Vol. 43, Pg. 495, 1991.