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Substance Name: Benzoic acid, 3,4,5-trimethoxy-, 4-piperidinocyclohexyl ester, hydrochloride
RN: 1532-13-4
InChIKey: LQGUJXQJPIVGRM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H31-N-O5.Cl-H

Molecular Weight

  • 413.939
 
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Names and Synonyms

Synonyms

  • 3,4,5-Trimethoxybenzoic acid 4-piperidinocyclohexyl ester hydrochloride
  • Estere 3,4,5-trimetossibenzoico del 4-piperidino-cicloesanolo clorohydrato
  • Estere 3,4,5-trimetossibenzoico del 4-piperidino-cicloesanolo clorohydrato [Spanish]

Systematic Name

  • Benzoic acid, 3,4,5-trimethoxy-, 4-piperidinocyclohexyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 1532-13-4

System Generated Number

  • 0001532134

Molecular Formulas

Molecular Formula

  • C21-H31-N-O5.Cl-H

Molecular Formula Fragments

  • C21-H31-N-O5
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H31NO5.ClH/c1-24-18-13-15(14-19(25-2)20(18)26-3)21(23)27-17-9-7-16(8-10-17)22-11-5-4-6-12-22;/h13-14,16-17H,4-12H2,1-3H3;1H

InChIKey

LQGUJXQJPIVGRM-UHFFFAOYSA-N

Smiles

c1(cc(c(OC)c(c1)OC)OC)C(OC1CCC([NH+]2CCCCC2)CC1)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 190mg/kg (190mg/kg) VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION Pharmacia Mediterranea. Vol. 6, Pg. 117, 1966.