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Substance Name: 1H-1,2,4-Benzotriazepine-3-carboxylic acid, 4,5-dihydro-7-chloro-5-oxo-4-phenyl-, 2-(diethylamino)ethyl ester
RN: 63931-94-2
InChIKey: RWIMQZYSTGSLQX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H23-Cl-N4-O3

Molecular Weight

  • 414.8907
 
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Names and Synonyms

Synonym

  • BRN 0721674

Systematic Name

  • 1H-1,2,4-Benzotriazepine-3-carboxylic acid, 4,5-dihydro-7-chloro-5-oxo-4-phenyl-, 2-(diethylamino)ethyl ester

Registry Numbers

CAS Registry Number

  • 63931-94-2

System Generated Number

  • 0063931942

Structure Descriptors

InChI

1S/C21H23ClN4O3/c1-3-25(4-2)12-13-29-21(28)19-24-23-18-11-10-15(22)14-17(18)20(27)26(19)16-8-6-5-7-9-16/h5-11,14,23H,3-4,12-13H2,1-2H3

InChIKey

RWIMQZYSTGSLQX-UHFFFAOYSA-N

Smiles

CCN(CC)CCOC(=O)C1=NNc2ccc(cc2C(=O)N1c3ccccc3)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 12, Pg. 263, 1977.