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Substance Name: 2-Pyrimidinamine, 4.6-bis(1-methyl-4-piperidinyl)oxy)-N-methyl-5-(methylthio)-N-(phenylmethyl)-, dihydrobromide
RN: 57259-18-4
InChIKey: CZQOFRFJNJUZMN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H37-N5-O2-S.2Br-H

Molecular Weight

  • 633.4901
 
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Names and Synonyms

Synonym

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

Systematic Name

  • 2-Pyrimidinamine, 4.6-bis(1-methyl-4-piperidinyl)oxy)-N-methyl-5-(methylthio)-N-(phenylmethyl)-, dihydrobromide

Registry Numbers

CAS Registry Number

  • 57259-18-4

System Generated Number

  • 0057259184

Molecular Formulas

Molecular Formula

  • C25-H37-N5-O2-S.2Br-H

Molecular Formula Fragments

  • Br-H
  • C25-H37-N5-O2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C25H37N5O2S.2BrH/c1-28-14-10-20(11-15-28)31-23-22(33-4)24(32-21-12-16-29(2)17-13-21)27-25(26-23)30(3)18-19-8-6-5-7-9-19;;/h5-9,20-21H,10-18H2,1-4H3;2*1H

InChIKey

CZQOFRFJNJUZMN-UHFFFAOYSA-N

Smiles

CN1CCC(CC1)Oc2c(c(nc(n2)N(C)Cc3ccccc3)OC4CCN(CC4)C)SC.Br.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 42mg/kg (42mg/kg)   German Offenlegungsschrift Patent Document. Vol. #2503136,
mouse LD50 oral 600mg/kg (600mg/kg)   German Offenlegungsschrift Patent Document. Vol. #2503136,