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Substance Name: Glycine, N-(4-((2-(bis(1-methylethyl)amino)ethyl)amino)-6-chloro-5-(methylthio)-2-pyrimidinyl)-N-methyl, ethyl ester, monohydrobromide
RN: 55417-04-4
InChIKey: XCEXXFBHJDDTBO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H32-Cl-N5-O2-S.Br-H

Molecular Weight

  • 498.9147
 
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Names and Synonyms

  • Glycine, N-(4-((2-(bis(1-methylethyl)amino)ethyl)amino)-6-chloro-5-(methylthio)-2-pyrimidinyl)-N-methyl, ethyl ester, monohydrobromide

Registry Numbers

CAS Registry Number

  • 55417-04-4

System Generated Number

  • 0055417044

Molecular Formulas

Molecular Formula

  • C18-H32-Cl-N5-O2-S.Br-H

Molecular Formula Fragments

  • Br-H
  • C18-H32-Cl-N5-O2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C18H32ClN5O2S.BrH/c1-8-26-14(25)11-23(6)18-21-16(19)15(27-7)17(22-18)20-9-10-24(12(2)3)13(4)5;/h12-13H,8-11H2,1-7H3,(H,20,21,22);1H

InChIKey

XCEXXFBHJDDTBO-UHFFFAOYSA-N

Smiles

CCOC(=O)CN(C)c1nc(c(c(n1)Cl)SC)NCCN(C(C)C)C(C)C.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 63mg/kg (63mg/kg)   United States Patent Document. Vol. #3968214,
mouse LD50 oral > 900mg/kg (900mg/kg)   United States Patent Document. Vol. #3968214,