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Substance Name: 1H-1-Benzazepin-2-one, 2,3,4,5-tetrahydro-3-(p-chlorophenyl)-1-(2-imidazolin-2-yl)methyl-
RN: 54951-32-5
InChIKey: XQKDTERCKFKPDY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H20-Cl-N3-O

Molecular Weight

  • 353.851
 
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Names and Synonyms

Synonyms

  • 3-(p-Chlorophenyl)-1-(2-imidazolin-2-yl)methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one
  • 5-25-09-00369 (Beilstein Handbook Reference)
  • BRN 0712477

Systematic Name

  • 1H-1-Benzazepin-2-one, 2,3,4,5-tetrahydro-3-(p-chlorophenyl)-1-(2-imidazolin-2-yl)methyl-

Registry Numbers

CAS Registry Number

  • 54951-32-5

System Generated Number

  • 0054951325

Structure Descriptors

InChI

1S/C20H20ClN3O/c21-16-8-5-14(6-9-16)17-10-7-15-3-1-2-4-18(15)24(20(17)25)13-19-22-11-12-23-19/h1-6,8-9,17H,7,10-13H2,(H,22,23)

InChIKey

XQKDTERCKFKPDY-UHFFFAOYSA-N

Smiles

c12N(C([C@@H](c3ccc(Cl)cc3)CCc1cccc2)=O)CC=1NCCN1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 70mg/kg (70mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 376, 1974.