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Substance Name: Piperazine, 1-(3-(2,5-dimethoxyphenyl)-1-oxo-2-propenyl)-4-(2-oxo-2-(1-pyrrolidinyl)ethyl)-, (E)-, monohydrochloride, hydrate (4:4:1)
RN: 88052-62-4
InChIKey: MQKTWFCOWPQTGS-YXFQPDOXSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H29-N3-O4.Cl-H.1/4H2-O

Molecular Weight

  • 1713.7668
 
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Names and Synonyms

  • Piperazine, 1-(3-(2,5-dimethoxyphenyl)-1-oxo-2-propenyl)-4-(2-oxo-2-(1-pyrrolidinyl)ethyl)-, (E)-, monohydrochloride, hydrate (4:4:1)

Registry Numbers

CAS Registry Number

  • 88052-62-4

System Generated Number

  • 0088052624

Molecular Formulas

Molecular Formula

  • C21-H29-N3-O4.Cl-H.1/4H2-O

Molecular Formula Fragments

  • C21-H29-N3-O4
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/4C21H29N3O4.4ClH.H2O/c4*1-27-18-6-7-19(28-2)17(15-18)5-8-20(25)24-13-11-22(12-14-24)16-21(26)23-9-3-4-10-23;;;;;/h4*5-8,15H,3-4,9-14,16H2,1-2H3;4*1H;1H2/b4*8-5+;;;;;

InChIKey

MQKTWFCOWPQTGS-YXFQPDOXSA-N

Smiles

N1(CCN(CC1)CC(=O)N1CCCC1)C(=O)/C=C/c1c(ccc(c1)OC)OC.Cl.O.N1(CCN(CC1)CC(=O)N1CCCC1)C(=O)/C=C/c1c(ccc(c1)OC)OC.Cl.N1(CCN(CC1)CC(=O)N1CCCC1)C(=O)/C=C/c1c(ccc(c1)OC)OC.Cl.N1(CCN(CC1)CC(=O)N1CCCC1)C(=O)/C=C/c1c(ccc(c1)OC)OC.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intravenous 205mg/kg (205mg/kg)   United States Patent Document. Vol. #4639452,