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Substance Name: 1H-1,2,4-Benzotriazepine-3-carboxylic acid, 4,5-dihydro-5-oxo-4-phenyl-, 2-(diethylamino)ethyl ester, monohydrate
RN: 63931-89-5
InChIKey: ASIHEQCUADXUAG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H24-N4-O3.H2-O

Molecular Weight

  • 380.4456
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 63931-89-5

System Generated Number

  • 0063931895

Molecular Formulas

Molecular Formula

  • C21-H24-N4-O3.H2-O

Molecular Formula Fragments

  • C21-H24-N4-O3
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C21H24N4O3/c1-3-24(4-2)14-15-28-21(27)19-23-22-18-13-9-8-12-17(18)20(26)25(19)16-10-6-5-7-11-16/h5-13,22H,3-4,14-15H2,1-2H3

InChIKey

ASIHEQCUADXUAG-UHFFFAOYSA-N

Smiles

CCN(CC)CCOC(=O)C1=NNc2ccccc2C(=O)N1c3ccccc3

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.