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Substance Name: Benzoic acid, 3,4,5-trimethoxy-, 1-((diethylamino)methyl)-2-(2-thienyl)ethyl ester, hydrochloride
RN: 74007-86-6
InChIKey: KIAVXPILDNHDMR-UHFFFAOYSA-N

Molecular Formula

  • C21-H29-N-O5-S.Cl-H

Molecular Weight

  • 443.989
 
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Names and Synonyms

Synonym

  • 3,4,5-Trimethoxybenzoate ester of 1-(2-thienyl)-3-diethylamino-2-propanol hydrochloride

Systematic Name

  • Benzoic acid, 3,4,5-trimethoxy-, 1-((diethylamino)methyl)-2-(2-thienyl)ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 74007-86-6

System Generated Number

  • 0074007866

Molecular Formulas

Molecular Formula

  • C21-H29-N-O5-S.Cl-H

Molecular Formula Fragments

  • C21-H29-N-O5-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H29NO5S.ClH/c1-6-22(7-2)14-16(13-17-9-8-10-28-17)27-21(23)15-11-18(24-3)20(26-5)19(12-15)25-4;/h8-12,16H,6-7,13-14H2,1-5H3;1H

InChIKey

KIAVXPILDNHDMR-UHFFFAOYSA-N

Smiles

CCN(CC)CC(Cc1cccs1)OC(=O)c2cc(c(c(c2)OC)OC)OC.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   Journal of Medicinal Chemistry. Vol. 7, Pg. 319, 1964.