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Substance Name: Cyclohexaneacetic acid, alpha-(1-hydroxy-1-propylbutyl)-, 2-(diethylamino)ethyl ester, hydrochloride
RN: 96168-19-3
InChIKey: XYVLNIYREJHRBZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H41-N-O3.Cl-H

Molecular Weight

  • 392.0198
 
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Names and Synonyms

Synonym

  • alpha-(1-Hydroxy-1-propylbutyl)cyclohexaneacetic acid 2-(diethylamino)ethyl ester HCl

Systematic Name

  • Cyclohexaneacetic acid, alpha-(1-hydroxy-1-propylbutyl)-, 2-(diethylamino)ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 96168-19-3

System Generated Number

  • 0096168193

Molecular Formulas

Molecular Formula

  • C21-H41-N-O3.Cl-H

Molecular Formula Fragments

  • C21-H41-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H41NO3.ClH/c1-5-14-21(24,15-6-2)19(18-12-10-9-11-13-18)20(23)25-17-16-22(7-3)8-4;/h18-19,24H,5-17H2,1-4H3;1H

InChIKey

XYVLNIYREJHRBZ-UHFFFAOYSA-N

Smiles

C(C(=O)OCCN(CC)CC)(C(O)(CCC)CCC)C1CCCCC1.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 31mg/kg (31mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 117, Pg. 331, 1956.