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Substance Name: Benzoic acid, 3,4,5-trimethoxy-, 1'-ethyl-4'-(N-ethyl-N-phenethylamino)butyl ester, hydrochloride
RN: 60491-27-2
InChIKey: MWKGTERQJQSUGB-UHFFFAOYSA-N

Molecular Formula

  • C26-H37-N-O5.Cl-H

Molecular Weight

  • 480.041
 
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Names and Synonyms

Synonyms

  • 1'-Ethyl-4'-(N-ethyl-2''-phenylethylamino)butyl-3,4,5-trimethoxybenzoate hydrochloride
  • CSAT 131

Systematic Name

  • Benzoic acid, 3,4,5-trimethoxy-, 1'-ethyl-4'-(N-ethyl-N-phenethylamino)butyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 60491-27-2

System Generated Number

  • 0060491272

Molecular Formulas

Molecular Formula

  • C26-H37-N-O5.Cl-H

Molecular Formula Fragments

  • C26-H37-N-O5
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C26H37NO5.ClH/c1-6-22(14-11-16-27(7-2)17-15-20-12-9-8-10-13-20)32-26(28)21-18-23(29-3)25(31-5)24(19-21)30-4;/h8-10,12-13,18-19,22H,6-7,11,14-17H2,1-5H3;1H

InChIKey

MWKGTERQJQSUGB-UHFFFAOYSA-N

Smiles

c1(c(cc(C(O[C@@H](CCC[N@@H+](CCc2ccccc2)CC)CC)=O)cc1OC)OC)OC.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 130mg/kg (130mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 338, 1972.