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Substance Name: 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-1-(3-(dimethylamino)propyl)-7-nitro-5-phenyl-, monohydrochloride
RN: 4219-01-6
InChIKey: JERMANHOFDIPQQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H22-N4-O3.Cl-H

Molecular Weight

  • 402.8797
 
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Names and Synonyms

Synonym

  • 1-(3-(Dimethylamino)propyl)-1,3-dihydro-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one HCl

Systematic Name

  • 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-1-(3-(dimethylamino)propyl)-7-nitro-5-phenyl-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 4219-01-6

System Generated Number

  • 0004219016

Molecular Formulas

Molecular Formula

  • C20-H22-N4-O3.Cl-H

Molecular Formula Fragments

  • C20-H22-N4-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H22N4O3.ClH/c1-22(2)11-6-12-23-18-10-9-16(24(26)27)13-17(18)20(21-14-19(23)25)15-7-4-3-5-8-15;/h3-5,7-10,13H,6,11-12,14H2,1-2H3;1H

InChIKey

JERMANHOFDIPQQ-UHFFFAOYSA-N

Smiles

C[NH+](C)CCCN1c2ccc(cc2C(=NCC1=O)c3ccccc3)[N+](=O)[O-].[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 362mg/kg (362mg/kg) AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)"

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ANTICONVULSANT
Journal of Medicinal Chemistry. Vol. 8, Pg. 815, 1965.