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Substance Name: 1-Piperazinepropanamide, 4-(diphenylmethyl)-N-(3-(methylamino)phenyl)-, hydrochloride, hydrate (2:6:1)
RN: 107314-69-2
InChIKey: UIJZRNHNWKSYOV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H32-N4-O.3Cl-H.1/2H2-O

Molecular Weight

  • 537.9595
 
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Names and Synonyms

Synonym

  • 3-(4-Benzhydryl-1-piperazinyl)-N-(3-methylaminophenyl)propionamide trihydrochloride 1/2H2O

Systematic Name

  • 1-Piperazinepropanamide, 4-(diphenylmethyl)-N-(3-(methylamino)phenyl)-, hydrochloride, hydrate (2:6:1)

Registry Numbers

CAS Registry Number

  • 107314-69-2

System Generated Number

  • 0107314692

Molecular Formulas

Molecular Formula

  • C27-H32-N4-O.3Cl-H.1/2H2-O

Molecular Formula Fragments

  • C27-H32-N4-O
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C27H32N4O.3ClH/c1-29-24-18-23(27(21-8-4-2-5-9-21)22-10-6-3-7-11-22)19-25(20-24)31-16-14-30(15-17-31)13-12-26(28)32;;;/h2-11,18-20,27,29H,12-17H2,1H3,(H2,28,32);3*1H

InChIKey

UIJZRNHNWKSYOV-UHFFFAOYSA-N

Smiles

CNc1cc(cc(c1)N2CCN(CC2)CCC(=O)N)C(c3ccccc3)c4ccccc4.Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 131mg/kg (131mg/kg)   United States Patent Document. Vol. #4675319,
mouse LD50 oral 317mg/kg (317mg/kg)   United States Patent Document. Vol. #4675319,