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Substance Name: Benzenebutanamide, alpha-((bis(2-methylpropyl)amino)methyl)-4-chloro-gamma-hydroxy-, hydrate
RN: 124500-19-2
InChIKey: HYBBRDJFFAKLBV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H31-Cl-N2-O2.H2-O

Molecular Weight

  • 354.9189
 
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Names and Synonyms

Synonym

  • alpha-((Bis(2-methylpropyl)amino)methyl)-4-chloro-gamma-hydroxybenzenebutanamide hydrate

Systematic Name

  • Benzenebutanamide, alpha-((bis(2-methylpropyl)amino)methyl)-4-chloro-gamma-hydroxy-, hydrate

Registry Numbers

CAS Registry Number

  • 124500-19-2

System Generated Number

  • 0124500192

Molecular Formulas

Molecular Formula

  • C19-H31-Cl-N2-O2.H2-O

Molecular Formula Fragments

  • C19-H31-Cl-N2-O2
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C19H31ClN2O2/c1-13(2)10-22(11-14(3)4)12-16(19(21)24)9-18(23)15-5-7-17(20)8-6-15/h5-8,13-14,16,18,23H,9-12H2,1-4H3,(H2,21,24)

InChIKey

HYBBRDJFFAKLBV-UHFFFAOYSA-N

Smiles

CC(C)CN(CC(C)C)CC(CC(c1ccc(cc1)Cl)O)C(=O)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 537mg/kg (537mg/kg)   Polish Journal of Pharmacology and Pharmacy. Vol. 41, Pg. 77, 1989.
mouse LD50 oral 1136mg/kg (1136mg/kg)   Polish Journal of Pharmacology and Pharmacy. Vol. 41, Pg. 77, 1989.