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Substance Name: 4-Piperidinol, 1-(3-(5H-dibenz(b,f)azepin-5-yl)propyl)-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-, hydrochloride, ethanol
RN: 26369-04-0
InChIKey: MPDCWXMIVDTQPW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H29-F13-N2-O.Cl-H.C2-H6-O

Molecular Weight

  • 515.016
 
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Names and Synonyms

Synonym

  • 5-(3-(4-Hydroxy-4-m-trifluoromethylphenylpiperidino)propyl)-5H-dibenzo(b,f)azepine HCl

Systematic Name

  • 4-Piperidinol, 1-(3-(5H-dibenz(b,f)azepin-5-yl)propyl)-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-, hydrochloride, ethanol

Registry Numbers

CAS Registry Number

  • 26369-04-0

System Generated Number

  • 0026369040

Molecular Formulas

Molecular Formula

  • C29-H29-F13-N2-O.Cl-H.C2-H6-O

Molecular Formula Fragments

  • C2-H6-O
  • C29-H29-F13-N2-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C29H29F3N2O.ClH/c30-29(31,32)25-10-5-9-24(21-25)28(35)15-19-33(20-16-28)17-6-18-34-26-11-3-1-7-22(26)13-14-23-8-2-4-12-27(23)34;/h1-5,7-14,21,35H,6,15-20H2;1H

InChIKey

MPDCWXMIVDTQPW-UHFFFAOYSA-N

Smiles

N1(CCC(CC1)(O)c1cc(ccc1)C(F)(F)F)CCCN1c2c(C=Cc3c1cccc3)cccc2.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 intraperitoneal 120mg/kg (120mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 644, 1970.
mammal (species unspecified) LD50 intraperitoneal 120mg/kg (120mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) Journal of Medicinal Chemistry. Vol. 13, Pg. 644, 1970.