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Substance Name: 2-Pyrimidinamine, 4,6-bis((1-methyl-4-piperidinyl)oxy)-N-methyl-5-(methylthio)-N-phenyl-, hydrobromide, hydrate (1:2:1)
RN: 57259-14-0
InChIKey: QUMIYFTYDQATNF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H35-N5-O2-S.2Br-H.H2-O

Molecular Weight

  • 619.4633
 
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Names and Synonyms

Synonym

  • 2-N-Methylanilin-4,6-di((4')-N-methylpiperidyl)-oxy-5-methylthiopyrimidin dihydrobromid H2O

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 57259-14-0

System Generated Number

  • 0057259140

Molecular Formulas

Molecular Formula

  • C24-H35-N5-O2-S.2Br-H.H2-O

Molecular Formula Fragments

  • Br-H
  • C24-H35-N5-O2-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C24H35N5O2S.2BrH/c1-27-14-10-19(11-15-27)30-22-21(32-4)23(31-20-12-16-28(2)17-13-20)26-24(25-22)29(3)18-8-6-5-7-9-18;;/h5-9,19-20H,10-17H2,1-4H3;2*1H

InChIKey

QUMIYFTYDQATNF-UHFFFAOYSA-N

Smiles

CN1CCC(CC1)Oc2c(c(nc(n2)N(C)c3ccccc3)OC4CCN(CC4)C)SC.Br.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   German Offenlegungsschrift Patent Document. Vol. #2503136,
mouse LD50 oral 600mg/kg (600mg/kg)   German Offenlegungsschrift Patent Document. Vol. #2503136,