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Substance Name: Mandelic acid, alpha-benzyl-, 2-(diethylamino)ethyl ester, hydrochloride
RN: 101756-43-8
InChIKey: IJQDCQLXOCTXPK-UHFFFAOYSA-N

Molecular Formula

  • C21-H27-N-O3.Cl-H

Molecular Weight

  • 377.909
 
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Names and Synonyms

Synonyms

  • 2-(Diethylamino)ethyl benzylphenylglycolate hydrochloride
  • alpha-Benzylmandelic acid 2-(diethylamino)ethyl ester hydrochloride

Systematic Name

  • Mandelic acid, alpha-benzyl-, 2-(diethylamino)ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 101756-43-8

System Generated Number

  • 0101756438

Molecular Formulas

Molecular Formula

  • C21-H27-N-O3.Cl-H

Molecular Formula Fragments

  • C21-H27-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H27NO3.ClH/c1-3-22(4-2)15-16-25-20(23)21(24,19-13-9-6-10-14-19)17-18-11-7-5-8-12-18;/h5-14,24H,3-4,15-17H2,1-2H3;1H

InChIKey

IJQDCQLXOCTXPK-UHFFFAOYSA-N

Smiles

c1([C@@](Cc2ccccc2)(C(OCC[NH+](CC)CC)=O)O)ccccc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 30mg/kg (30mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11150,