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Substance Name: 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-(3-(diethylamino)propyl)-5-phenyl-, dihydrochloride
RN: 1248-22-2
InChIKey: ACRXWCHOYGQNEI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H26-Cl-N3-O.2Cl-H

Molecular Weight

  • 456.8422
 
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Names and Synonyms

Synonym

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

Systematic Name

  • 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-(3-(diethylamino)propyl)-5-phenyl-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 1248-22-2

System Generated Number

  • 0001248222

Molecular Formulas

Molecular Formula

  • C22-H26-Cl-N3-O.2Cl-H

Molecular Formula Fragments

  • C22-H26-Cl-N3-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H26ClN3O.2ClH/c1-3-25(4-2)13-8-14-26-20-12-11-18(23)15-19(20)22(24-16-21(26)27)17-9-6-5-7-10-17;;/h5-7,9-12,15H,3-4,8,13-14,16H2,1-2H3;2*1H

InChIKey

ACRXWCHOYGQNEI-UHFFFAOYSA-N

Smiles

CCN(CC)CCCN1c2ccc(cc2C(=NCC1=O)c3ccccc3)Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 205mg/kg (205mg/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.