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Substance Name: 2-Pyrimidinamine, 4,6-bis(1-methyl-4-piperidinyl)oxy)-N-(3,4-dimethoxyphenyl)-N-methyl-5-(methylthio)-
RN: 57304-25-3
InChIKey: HROIHJPJILKZAP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H39-N5-O4-S

Molecular Weight

  • 517.6911
 
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Names and Synonyms

Synonym

  • (3',4'-Dimethoxy)-2-N-methylanilino-4,6-di((4')-N-methylpiperidyl)-oxy-5-methylthiopyrimidin

Systematic Name

  • 2-Pyrimidinamine, 4,6-bis(1-methyl-4-piperidinyl)oxy)-N-(3,4-dimethoxyphenyl)-N-methyl-5-(methylthio)-

Registry Numbers

CAS Registry Number

  • 57304-25-3

System Generated Number

  • 0057304253

Structure Descriptors

InChI

1S/C26H39N5O4S/c1-29-13-9-19(10-14-29)34-24-23(36-6)25(35-20-11-15-30(2)16-12-20)28-26(27-24)31(3)18-7-8-21(32-4)22(17-18)33-5/h7-8,17,19-20H,9-16H2,1-6H3

InChIKey

HROIHJPJILKZAP-UHFFFAOYSA-N

Smiles

CN1CCC(CC1)Oc2c(c(nc(n2)N(C)c3ccc(c(c3)OC)OC)OC4CCN(CC4)C)SC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 65mg/kg (65mg/kg)   German Offenlegungsschrift Patent Document. Vol. #2503136,
mouse LD50 oral 600mg/kg (600mg/kg)   German Offenlegungsschrift Patent Document. Vol. #2503136,