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Substance Name: 3-Buten-2-one, 4-phenyl-3-(2-(3-piperidinopropoxy)phenoxy)-, citrate (1:1), (Z)-
RN: 106064-09-9
InChIKey: SVAHVALPUSLJCW-BMGIYVBOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H29-N-O3.C6-H8-O7

Molecular Weight

  • 571.619
 
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Names and Synonyms

Synonym

  • (Z)-4-Phenyl-3-(2-(3-piperidinopropoxy)phenoxy)-3-buten-2-one citrate (1:1)

Systematic Name

  • 3-Buten-2-one, 4-phenyl-3-(2-(3-piperidinopropoxy)phenoxy)-, citrate (1:1), (Z)-

Registry Numbers

CAS Registry Number

  • 106064-09-9

System Generated Number

  • 0106064099

Molecular Formulas

Molecular Formula

  • C24-H29-N-O3.C6-H8-O7

Molecular Formula Fragments

  • C24-H29-N-O3
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C24H29NO3.C6H8O7/c1-20(26)24(19-21-11-4-2-5-12-21)28-23-14-7-6-13-22(23)27-18-10-17-25-15-8-3-9-16-25;7-3(8)1-6(13,5(11)12)2-4(9)10/h2,4-7,11-14,19H,3,8-10,15-18H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b24-19-;

InChIKey

SVAHVALPUSLJCW-BMGIYVBOSA-N

Smiles

c1(c(OCCC[NH+]2CCCCC2)cccc1)O\C(=C/c1ccccc1)C(C)=O.C(CC(O)=O)(CC(O)=O)(C(=O)[O-])O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 62mg/kg (62mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 773, 1987.
rat LD50 intravenous 6500ug/kg (6.5mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 773, 1987.