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Substance Name: Hexanoic acid, 5-methyl-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride
RN: 74038-55-4
InChIKey: JWRAXFUJJYXTFZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H31-N-O2.Cl-H

Molecular Weight

  • 341.92
 
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Names and Synonyms

Synonyms

  • 2-(Diethylamino)ethyl 5-methyl-2-phenylhexanoate hydrochloride
  • Ethanol, 2-(diethylamino)-, 5-methyl-2-phenylhexanoate, hydrochloride
  • Isoamyl-phenylacetate du diethylamino-ethanol chlorhydrate
  • Isoamyl-phenylacetate du diethylamino-ethanol chlorhydrate [French]

Systematic Name

  • Hexanoic acid, 5-methyl-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 74038-55-4

System Generated Number

  • 0074038554

Molecular Formulas

Molecular Formula

  • C19-H31-N-O2.Cl-H

Molecular Formula Fragments

  • C19-H31-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C19H31NO2.ClH/c1-5-20(6-2)14-15-22-19(21)18(13-12-16(3)4)17-10-8-7-9-11-17;/h7-11,16,18H,5-6,12-15H2,1-4H3;1H

InChIKey

JWRAXFUJJYXTFZ-UHFFFAOYSA-N

Smiles

c1([C@@H](C(OCC[NH+](CC)CC)=O)CCC(C)C)ccccc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intradermal 250mg/kg (250mg/kg) BEHAVIORAL: EXCITEMENT

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: ATAXIA
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 59, Pg. 149, 1938.