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Substance Name: 1-Piperazineethanamine, N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-4-phenyl-, hydrochloride, hydrate (2:4:1)
RN: 75463-36-4
InChIKey: VODODVRAXVKLEH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H31-N3.2Cl-H.1/2H2-O

Molecular Weight

  • 434.4517
 
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Names and Synonyms

Synonyms

  • N-(1,2,3,5,6,7-Hexahydro-s-indacen-1-yl)-4-phenyl-1-piperazineethanamine HCl hydrate (2:4:1)
  • VUFB10,545

Systematic Name

  • 1-Piperazineethanamine, N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-4-phenyl-, hydrochloride, hydrate (2:4:1)

Registry Numbers

CAS Registry Number

  • 75463-36-4

System Generated Number

  • 0075463364

Molecular Formulas

Molecular Formula

  • C24-H31-N3.2Cl-H.1/2H2-O

Molecular Formula Fragments

  • C24-H31-N3
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C24H31N3.2ClH/c1-2-7-22(8-3-1)27-15-13-26(14-16-27)12-11-25-24-10-9-21-17-19-5-4-6-20(19)18-23(21)24;;/h1-3,7-8,17-18,24-25H,4-6,9-16H2;2*1H

InChIKey

VODODVRAXVKLEH-UHFFFAOYSA-N

Smiles

c1ccc(cc1)N2CCN(CC2)CCNC3CCc4c3cc5c(c4)CCC5.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 35mg/kg (35mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 41, Pg. 2020, 1976.