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Substance Name: 2-Pyrimidinamine, 4,6-bis((1-methyl-4-piperidinyl)oxy)-5-(methylthio)-N,N-diethyl-, hydrobromide, hydrate (1:2:1)
RN: 57259-13-9
InChIKey: PLAXNVYOYCZZSM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H37-N5-O2-S.2Br-H.H2-O

Molecular Weight

  • 585.4461
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 57259-13-9

System Generated Number

  • 0057259139

Molecular Formulas

Molecular Formula

  • C21-H37-N5-O2-S.2Br-H.H2-O

Molecular Formula Fragments

  • Br-H
  • C21-H37-N5-O2-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C21H37N5O2S.2BrH/c1-6-26(7-2)21-22-19(27-16-8-12-24(3)13-9-16)18(29-5)20(23-21)28-17-10-14-25(4)15-11-17;;/h16-17H,6-15H2,1-5H3;2*1H

InChIKey

PLAXNVYOYCZZSM-UHFFFAOYSA-N

Smiles

CCN(CC)c1nc(c(c(n1)OC2CCN(CC2)C)SC)OC3CCN(CC3)C.Br.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 50mg/kg (50mg/kg)   German Offenlegungsschrift Patent Document. Vol. #2503136,
mouse LD50 oral 600mg/kg (600mg/kg)   German Offenlegungsschrift Patent Document. Vol. #2503136,