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Substance Name: 4-Piperidinecarboxylic acid, 1-(4-oxo-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)butyl)-4-phenyl-, ethyl ester, hydrochloride
RN: 74422-45-0
InChIKey: PLJASGZYPRFDCC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H37-N-O3.Cl-H

Molecular Weight

  • 484.0762
 
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Names and Synonyms

Synonym

  • VUFB-9999

Systematic Name

  • 4-Piperidinecarboxylic acid, 1-(4-oxo-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)butyl)-4-phenyl-, ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 74422-45-0

System Generated Number

  • 0074422450

Molecular Formulas

Molecular Formula

  • C29-H37-N-O3.Cl-H

Molecular Formula Fragments

  • C29-H37-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C29H37NO3.ClH/c1-2-33-28(32)29(26-12-7-4-8-13-26)17-20-30(21-18-29)19-9-14-27(31)25-16-15-23-10-5-3-6-11-24(23)22-25;/h4,7-8,12-13,15-16,22H,2-3,5-6,9-11,14,17-21H2,1H3;1H

InChIKey

PLJASGZYPRFDCC-UHFFFAOYSA-N

Smiles

CCOC(=O)C1(CCN(CC1)CCCC(=O)c2ccc3c(c2)CCCCC3)c4ccccc4.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2gm/kg (2000mg/kg) BEHAVIORAL: ANALGESIA Collection of Czechoslovak Chemical Communications. Vol. 44, Pg. 3604, 1979.