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Substance Name: Ethanone, 1-(4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxyphenyl)-2-(methylsulfonyl)-, monohydrochloride
RN: 55687-75-7
InChIKey: ODPWYMWPLDBGCJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H20-N4-O5-S.Cl-H

Molecular Weight

  • 416.8839
 
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Names and Synonyms

Synonym

  • 4'-((2,4-Diamino-5-(pyrimidinyl)methyl)-2',6'-dimethoxy-2-methylsulfonyl)acetophenone HCl

Systematic Name

  • Ethanone, 1-(4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxyphenyl)-2-(methylsulfonyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 55687-75-7

System Generated Number

  • 0055687757

Molecular Formulas

Molecular Formula

  • C16-H20-N4-O5-S.Cl-H

Molecular Formula Fragments

  • C16-H20-N4-O5-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H20N4O5S.ClH/c1-24-12-5-9(4-10-7-19-16(18)20-15(10)17)6-13(25-2)14(12)11(21)8-26(3,22)23;/h5-7H,4,8H2,1-3H3,(H4,17,18,19,20);1H

InChIKey

ODPWYMWPLDBGCJ-UHFFFAOYSA-N

Smiles

COc1cc(cc(c1C(=O)CS(=O)(=O)C)OC)Cc2cnc(nc2N)N.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 5gm/kg (5000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 15, Pg. 17, 1980.