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Substance Name: 2-Pyrimidinamine, 4,6-bis((1-methyl-4-piperidinyl)oxy)-N-methyl-N-(4-methylphenyl)-5-(methylthio)-, hydrobromide, hydrate (1:2:2)
RN: 57259-30-0
InChIKey: OTWXEUWCDGRIAE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H37-N5-O-S.2Br-H.2H2-O

Molecular Weight

  • 633.4901
 
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Names and Synonyms

Synonym

  • N-Methyl-2-p-toluidin-4,6-di-((4')-N-methylpiperidyl)oxy-5-methylthiopyrimidin dihydrobromid

Systematic Name

  • 2-Pyrimidinamine, 4,6-bis((1-methyl-4-piperidinyl)oxy)-N-methyl-N-(4-methylphenyl)-5-(methylthio)-, hydrobromide, hydrate (1:2:2)

Registry Numbers

CAS Registry Number

  • 57259-30-0

System Generated Number

  • 0057259300

Molecular Formulas

Molecular Formula

  • C25-H37-N5-O-S.2Br-H.2H2-O

Molecular Formula Fragments

  • Br-H
  • C25-H37-N5-O-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C25H37N5O2S.2BrH/c1-18-6-8-19(9-7-18)30(4)25-26-23(31-20-10-14-28(2)15-11-20)22(33-5)24(27-25)32-21-12-16-29(3)17-13-21;;/h6-9,20-21H,10-17H2,1-5H3;2*1H

InChIKey

OTWXEUWCDGRIAE-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)N(C)c2nc(c(c(n2)OC3CCN(CC3)C)SC)OC4CCN(CC4)C.Br.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 600mg/kg (600mg/kg)   German Offenlegungsschrift Patent Document. Vol. #2503136,