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Substance Name: Acetophenone, 4'-sec-butyl-2-(1-imidazolyl)-, hydrochloride
RN: 77234-73-2
InChIKey: SSKFWNWEKJXPGN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H18-N2-O.Cl-H

Molecular Weight

  • 278.781
 
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Names and Synonyms

Synonym

  • N-((4-sec-Butylbenzoyl)methyl)imidazole hydrochloride

Systematic Name

  • Acetophenone, 4'-sec-butyl-2-(1-imidazolyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 77234-73-2

System Generated Number

  • 0077234732

Molecular Formulas

Molecular Formula

  • C15-H18-N2-O.Cl-H

Molecular Formula Fragments

  • C15-H18-N2-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C15H18N2O.ClH/c1-3-12(2)13-4-6-14(7-5-13)15(18)10-17-9-8-16-11-17;/h4-9,11-12H,3,10H2,1-2H3;1H

InChIKey

SSKFWNWEKJXPGN-UHFFFAOYSA-N

Smiles

c1(C(C[N+]2C=CN=C2)=O)ccc([C@@H](CC)C)cc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 115mg/kg (115mg/kg) BEHAVIORAL: ANTICONVULSANT Journal of Medicinal Chemistry. Vol. 24, Pg. 727, 1981.