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Substance Name: 1-Piperazinepropanol, 4-(3-(dimethylamino)-1-phenylpropyl)-, (Z)-2-butenedioate (1:3)
RN: 81402-38-2
InChIKey: UONNCAGRWOKDSN-LDFLFNBESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H31-N3-O.3C4-H4-O4

Molecular Weight

  • 653.6777
 
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Names and Synonyms

Synonym

  • 4-(3-(Dimethylamino)-1-phenylpropyl)-1-piperazinepropanol maleate (1:3)

Systematic Name

  • 1-Piperazinepropanol, 4-(3-(dimethylamino)-1-phenylpropyl)-, (Z)-2-butenedioate (1:3)

Registry Numbers

CAS Registry Number

  • 81402-38-2

System Generated Number

  • 0081402382

Molecular Formulas

Molecular Formula

  • C18-H31-N3-O.3C4-H4-O4

Molecular Formula Fragments

  • C18-H31-N3-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H31N3O.3C4H4O4/c1-19(2)11-9-18(17-7-4-3-5-8-17)21-14-12-20(13-15-21)10-6-16-22;3*5-3(6)1-2-4(7)8/h3-5,7-8,18,22H,6,9-16H2,1-2H3;3*1-2H,(H,5,6)(H,7,8)/b;3*2-1+

InChIKey

UONNCAGRWOKDSN-LDFLFNBESA-N

Smiles

CN(CCC(N1CCN(CC1)CCCO)c2ccccc2)C.C(=C/C(=O)O)\C(=O)O.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 87500ug/kg (87.5mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 46, Pg. 2729, 1981.