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Substance Name: Benzoic acid, 3,4,5-trimethoxy-, alpha-((diethylamino)methyl)benzyl ester, hydrochloride
RN: 102701-04-2
InChIKey: RFIWQQUEPTVWFP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H29-N-O5.Cl-H

Molecular Weight

  • 423.934
 
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Names and Synonyms

Synonym

  • 3,4,5-Trimethoxybenzoic acid alpha-((diethylamino)methyl)benzyl ester hydrochloride

Systematic Name

  • Benzoic acid, 3,4,5-trimethoxy-, alpha-((diethylamino)methyl)benzyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 102701-04-2

System Generated Number

  • 0102701042

Molecular Formulas

Molecular Formula

  • C22-H29-N-O5.Cl-H

Molecular Formula Fragments

  • C22-H29-N-O5
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H29NO5.ClH/c1-6-23(7-2)15-20(16-11-9-8-10-12-16)28-22(24)17-13-18(25-3)21(27-5)19(14-17)26-4;/h8-14,20H,6-7,15H2,1-5H3;1H

InChIKey

RFIWQQUEPTVWFP-UHFFFAOYSA-N

Smiles

c1([C@@H](OC(c2cc(c(OC)c(c2)OC)OC)=O)C[NH+](CC)CC)ccccc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo subcutaneous 400mg/kg (400mg/kg)   Journal of the American Chemical Society. Vol. 81, Pg. 203, 1959.