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Substance Name: Ketone, 4-pyrrolidinylcarbonylmethylpiperazinyl 3,4,5-trimethoxycinnamyl, maleate
RN: 75348-49-1
InChIKey: KLAJBIWBGZDPTM-IKKVEHJZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H31-N3-O5.C4-H4-O4

Molecular Weight

  • 564.632
 
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Names and Synonyms

Synonym

  • 4-Pyrrolidinylcarbonylmethylpiperazinyl 3,4,5-trimethoxycinnamyl ketone maleate

Systematic Name

  • Ketone, 4-pyrrolidinylcarbonylmethylpiperazinyl 3,4,5-trimethoxycinnamyl, maleate

Registry Numbers

CAS Registry Number

  • 75348-49-1

System Generated Number

  • 0075348491

Molecular Formulas

Molecular Formula

  • C22-H31-N3-O5.C4-H4-O4

Molecular Formula Fragments

  • C22-H31-N3-O5
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C23H33N3O5.C4H4O4.H3N/c1-29-19-10-9-18(22(30-2)23(19)31-3)7-6-8-20(27)26-15-13-24(14-16-26)17-21(28)25-11-4-5-12-25;5-3(6)1-2-4(7)8;/h6-7,9-10H,4-5,8,11-17H2,1-3H3;1-2H,(H,5,6)(H,7,8);1H3/b7-6+;2-1-;

InChIKey

KLAJBIWBGZDPTM-IKKVEHJZSA-N

Smiles

c1(c(c(ccc1\C=C\CC(N1CC[NH+](CC(N2CCCC2)=O)CC1)=O)OC)OC)OC.C(=C/C(=O)[O-])\C(O)=O.N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 630mg/kg (630mg/kg)   Chimica Therapeutica. Vol. 4, Pg. 293, 1969.
mouse LD50 oral 1gm/kg (1000mg/kg)   Chimica Therapeutica. Vol. 4, Pg. 293, 1969.