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Substance Name: 1-Piperazinepropanamine, N,N-dimethyl-gamma,4-diphenyl-, (Z)-2-butenedioate (1:2)
RN: 81402-40-6
InChIKey: GQHYERRIGCVHNZ-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H29-N3.2C4-H4-O4

Molecular Weight

  • 555.6243
 
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Names and Synonyms

Synonym

  • N,N-Dimethyl-gamma,4-diphenyl-1-piperazinepropanamine maleate (1:2)

Systematic Name

  • 1-Piperazinepropanamine, N,N-dimethyl-gamma,4-diphenyl-, (Z)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 81402-40-6

System Generated Number

  • 0081402406

Molecular Formulas

Molecular Formula

  • C21-H29-N3.2C4-H4-O4

Molecular Formula Fragments

  • C21-H29-N3
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H29N3.2C4H4O4/c1-22(2)14-13-21(19-9-5-3-6-10-19)24-17-15-23(16-18-24)20-11-7-4-8-12-20;2*5-3(6)1-2-4(7)8/h3-12,21H,13-18H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

GQHYERRIGCVHNZ-LVEZLNDCSA-N

Smiles

CN(CCC(N1CCN(CC1)c2ccccc2)c3ccccc3)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 5mg/kg (5mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 46, Pg. 2729, 1981.