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Substance Name: 2-Propanamine, N-(1-methylethyl)-N-(2-((6-((1-methyl-4-piperidinyl)oxy)-5-(methylthio)-2-(4-morpholinyl)-4-pyrimidinyl)oxy)ethyl)-, hydrobromide, hydrate (1:2:2)
RN: 57259-22-0
InChIKey: LQWCSFKHTYRPER-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H41-N5-O3-S.2Br-H.2H2-O

Molecular Weight

  • 629.4987
 
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Names and Synonyms

  • 2-Propanamine, N-(1-methylethyl)-N-(2-((6-((1-methyl-4-piperidinyl)oxy)-5-(methylthio)-2-(4-morpholinyl)-4-pyrimidinyl)oxy)ethyl)-, hydrobromide, hydrate (1:2:2)

Registry Numbers

CAS Registry Number

  • 57259-22-0

System Generated Number

  • 0057259220

Molecular Formulas

Molecular Formula

  • C23-H41-N5-O3-S.2Br-H.2H2-O

Molecular Formula Fragments

  • Br-H
  • C23-H41-N5-O3-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C23H41N5O3S.2BrH/c1-17(2)28(18(3)4)13-16-30-21-20(32-6)22(31-19-7-9-26(5)10-8-19)25-23(24-21)27-11-14-29-15-12-27;;/h17-19H,7-16H2,1-6H3;2*1H

InChIKey

LQWCSFKHTYRPER-UHFFFAOYSA-N

Smiles

CC(C)N(CCOc1c(c(nc(n1)N2CCOCC2)OC3CCN(CC3)C)SC)C(C)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 800mg/kg (800mg/kg)   German Offenlegungsschrift Patent Document. Vol. #2503136,