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Substance Name: 2-Pyrimidinamine, 4.6-bis(1-methyl-4-piperidinyl)oxy)-N-(4-chlorophenyl)-N-methyl-5-(methylthio)-, hydrobromide, hydrate (1:2:2)
RN: 57259-17-3
InChIKey: RQMQGCMWONLMHG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H34-Cl-N5-O2-S.2Br-H.2H2-O

Molecular Weight

  • 653.9084
 
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Names and Synonyms

Synonym

  • (4'-Chlor)-2-N-methylanilin-4,6-di-((4')-N-methylpiperidyl)-oxy-5-methylthiopyrimidin 2HBr

Systematic Name

  • 2-Pyrimidinamine, 4.6-bis(1-methyl-4-piperidinyl)oxy)-N-(4-chlorophenyl)-N-methyl-5-(methylthio)-, hydrobromide, hydrate (1:2:2)

Registry Numbers

CAS Registry Number

  • 57259-17-3

System Generated Number

  • 0057259173

Molecular Formulas

Molecular Formula

  • C24-H34-Cl-N5-O2-S.2Br-H.2H2-O

Molecular Formula Fragments

  • Br-H
  • C24-H34-Cl-N5-O2-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C24H34ClN5O2S.2BrH/c1-28-13-9-19(10-14-28)31-22-21(33-4)23(32-20-11-15-29(2)16-12-20)27-24(26-22)30(3)18-7-5-17(25)6-8-18;;/h5-8,19-20H,9-16H2,1-4H3;2*1H

InChIKey

RQMQGCMWONLMHG-UHFFFAOYSA-N

Smiles

CN1CCC(CC1)Oc2c(c(nc(n2)N(C)c3ccc(cc3)Cl)OC4CCN(CC4)C)SC.Br.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 675mg/kg (675mg/kg)   German Offenlegungsschrift Patent Document. Vol. #2503136,