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Substance Name: Benzoic acid, 3,4,5-trimethoxy-, 4-piperidinocyclohexyl ester
RN: 1532-12-3
InChIKey: UNYOEMGZKJSZNF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H31-N-O5

Molecular Weight

  • 377.478
 
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Names and Synonyms

Synonyms

  • 3,4,5-Trimethoxybenzoic acid 4-piperidinocyclohexyl ester
  • BRN 1265757
  • Cyclohexanol, 4-piperidino-, 3,4,5-trimethoxybenzoate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 1532-12-3

System Generated Number

  • 0001532123

Structure Descriptors

InChI

1S/C21H31NO5/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

InChIKey

UNYOEMGZKJSZNF-UHFFFAOYSA-N

Smiles

c1(cc(c(OC)c(c1)OC)OC)C(OC1CCC(N2CCCCC2)CC1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 650mg/kg (650mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Bollettino Chimico Farmaceutico. Vol. 106, Pg. 243, 1967.