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Substance Name: Cyclohexanecarboxamide, N-(4-(diethylamino)-2-butynyl)-1-phenyl-, monohydrochloride, hydrate
RN: 16795-57-6
InChIKey: KKSYZNCMKMCOSX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H30-N2-O.Cl-H.H2-O

Molecular Weight

  • 362.942
 
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Names and Synonyms

Synonym

  • N-(4-(Diethylamino)-2-butynyl)-1-phenylcyclohexanecarboxamide hydrochloride hydrate

Systematic Name

  • Cyclohexanecarboxamide, N-(4-(diethylamino)-2-butynyl)-1-phenyl-, monohydrochloride, hydrate

Registry Numbers

CAS Registry Number

  • 16795-57-6

System Generated Number

  • 0016795576

Molecular Formulas

Molecular Formula

  • C21-H30-N2-O.Cl-H.H2-O

Molecular Formula Fragments

  • C21-H30-N2-O
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C21H30N2O.ClH/c1-3-23(4-2)18-12-11-17-22-20(24)21(15-9-6-10-16-21)19-13-7-5-8-14-19;/h5,7-8,13-14H,3-4,6,9-10,15-18H2,1-2H3,(H,22,24);1H

InChIKey

KKSYZNCMKMCOSX-UHFFFAOYSA-N

Smiles

C1(CCCCC1)(C(=O)NCC#CCN(CC)CC)c1ccccc1.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 114mg/kg (114mg/kg)   Acta Pharmaceutica Suecica. Vol. 4, Pg. 247, 1967.