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Substance Name: 1-Piperazinepropanenitrile, 4-(1-(4-methoxyphenyl)-3-phenylpropyl)-, (Z)-2-butenedioate (1:2)
RN: 40028-28-2
InChIKey: CNXNSGZLJUUTMX-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H29-N3-O.2C4-H4-O4

Molecular Weight

  • 595.6453
 
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Names and Synonyms

Synonyms

  • 1-(1-(4-Methoxyphenyl)-3-phenylpropyl)-4-(2-cyanoethyl)piperazine di(hydrogen maleate)
  • 4-(1-(4-Methoxyphenyl)-3-phenylpropyl)-1-piperazinepropanenitrile dimaleate

Systematic Name

  • 1-Piperazinepropanenitrile, 4-(1-(4-methoxyphenyl)-3-phenylpropyl)-, (Z)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 40028-28-2

System Generated Number

  • 0040028282

Molecular Formulas

Molecular Formula

  • C23-H29-N3-O.2C4-H4-O4

Molecular Formula Fragments

  • C23-H29-N3-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C23H29N3O.2C4H4O4/c1-27-22-11-9-21(10-12-22)23(13-8-20-6-3-2-4-7-20)26-18-16-25(17-19-26)15-5-14-24;2*5-3(6)1-2-4(7)8/h2-4,6-7,9-12,23H,5,8,13,15-19H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

CNXNSGZLJUUTMX-LVEZLNDCSA-N

Smiles

COc1ccc(cc1)C(N2CCN(CC2)CCC#N)CCc3ccccc3.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 100mg/kg (100mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 37, Pg. 3124, 1972.