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Substance Name: 1-Piperidinebutyric acid, 1,3,4,5-tetrahydro-5,5-dimethyl-8-(4-(p-fluorophenyl)-1-methylbutyl)-2-(2-propynyl)-2H-(1)benzopyrano(4,3-c)pyridin-10-yl ester, monohydrochloride
RN: 57860-69-2
InChIKey: XBSOFODNKQAJFJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C37-H47-F-N2-O3.Cl-H

Molecular Weight

  • 623.2482
 
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Names and Synonyms

  • 1-Piperidinebutyric acid, 1,3,4,5-tetrahydro-5,5-dimethyl-8-(4-(p-fluorophenyl)-1-methylbutyl)-2-(2-propynyl)-2H-(1)benzopyrano(4,3-c)pyridin-10-yl ester, monohydrochloride

Registry Numbers

CAS Registry Number

  • 57860-69-2

System Generated Number

  • 0057860692

Molecular Formulas

Molecular Formula

  • C37-H47-F-N2-O3.Cl-H

Molecular Formula Fragments

  • C37-H47-F-N2-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C37H47FN2O3.ClH/c1-5-19-40-23-18-32-31(26-40)36-33(42-35(41)13-10-22-39-20-7-6-8-21-39)24-29(25-34(36)43-37(32,3)4)27(2)11-9-12-28-14-16-30(38)17-15-28;/h1,14-17,24-25,27H,6-13,18-23,26H2,2-4H3;1H

InChIKey

XBSOFODNKQAJFJ-UHFFFAOYSA-N

Smiles

CC(CCCc1ccc(cc1)F)c2cc3c(c(c2)OC(=O)CCCN4CCCCC4)C5=C(CCN(C5)CC#C)C(O3)(C)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 750mg/kg (750mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ANALGESIA

BEHAVIORAL: ANTIPSYCHOTIC
Journal of Medicinal Chemistry. Vol. 19, Pg. 461, 1976.