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Substance Name: 4(1H)-Pyrimidinone, 5,6-dimethyl-2-((4-(3-(1-piperidinylmethyl)phenoxy)-2-butenyl)amino)-, monohydrochloride, (Z)-
RN: 126868-90-4
InChIKey: BYSUEKDQOCICDG-ZULQGGHCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H30-N4-O2.Cl-H

Molecular Weight

  • 418.9659
 
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Names and Synonyms

Synonym

  • 5,6-Dimethyl-2-(4-(3-(1-piperidinomethyl)phenoxy)-cis-2-butenylamino)-4(1H)-pyrimidinone HCl

Systematic Name

  • 4(1H)-Pyrimidinone, 5,6-dimethyl-2-((4-(3-(1-piperidinylmethyl)phenoxy)-2-butenyl)amino)-, monohydrochloride, (Z)-

Registry Numbers

CAS Registry Number

  • 126868-90-4

System Generated Number

  • 0126868904

Molecular Formulas

Molecular Formula

  • C22-H30-N4-O2.Cl-H

Molecular Formula Fragments

  • C22-H30-N4-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H30N4O2.ClH/c1-17-18(2)24-22(25-21(17)27)23-11-4-7-14-28-20-10-8-9-19(15-20)16-26-12-5-3-6-13-26;/h4,7-10,15H,3,5-6,11-14,16H2,1-2H3,(H2,23,24,25,27);1H/b7-4-;

InChIKey

BYSUEKDQOCICDG-ZULQGGHCSA-N

Smiles

Cc1c([nH]c(nc1=O)NC/C=C\COc2cccc(c2)CN3CCCCC3)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 1800mg/kg (1800mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #91-02121,