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Substance Name: 4-Piperidinol, 1-(4-phenoxybutyl)-4-phenyl-, propanoate (ester), hydrochloride
RN: 128864-82-4
InChIKey: TVCSDVBFCXMDRL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H31-N-O.Cl-H

Molecular Weight

  • 417.9738
 
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Names and Synonyms

Synonyms

  • 1-(4-Phenoxybutyl)-4-phenyl-4-piperidinol propanoate (ester) hydrochloride
  • AB-35

Systematic Name

  • 4-Piperidinol, 1-(4-phenoxybutyl)-4-phenyl-, propanoate (ester), hydrochloride

Registry Numbers

CAS Registry Number

  • 128864-82-4

System Generated Number

  • 0128864824

Molecular Formulas

Molecular Formula

  • C24-H31-N-O.Cl-H

Molecular Formula Fragments

  • C24-H31-N-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C24H31NO3.ClH/c1-2-23(26)28-24(21-11-5-3-6-12-21)15-18-25(19-16-24)17-9-10-20-27-22-13-7-4-8-14-22;/h3-8,11-14H,2,9-10,15-20H2,1H3;1H

InChIKey

TVCSDVBFCXMDRL-UHFFFAOYSA-N

Smiles

CCC(=O)OC1(CCN(CC1)CCCCOc2ccccc2)c3ccccc3.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 24(4), Pg. 25, 1990.
mouse LD50 subcutaneous 287mg/kg (287mg/kg)   Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 24(4), Pg. 25, 1990.
rat LD50 subcutaneous 24500ug/kg (24.5mg/kg)   Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 24(4), Pg. 25, 1990.