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Substance Name: 4-Desmethoxy-4-ethoxy trimethoprim
RN: 78025-68-0
UNII: 29X0GX73RM
InChIKey: XWUQANDETYXOIU-UHFFFAOYSA-N

Molecular Formula

  • C15-H20-N4-O3

Molecular Weight

  • 304.348
 
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Names and Synonyms

Name of Substance

  • 4-Desmethoxy-4-ethoxy trimethoprim

Synonyms

  • 2,4-Pyrimidinediamine, 5-((4-ethoxy-3,5-dimethoxyphenyl)methyl)-
  • 4-Desmethoxy-4-ethoxy trimethoprim
  • 5-(4-Ethoxy-3,5-dimethoxybenzyl)pyrimidine-2,4-diamine
  • Trimethoprim impurity G [EP]
  • UNII-29X0GX73RM

Registry Numbers

CAS Registry Number

  • 78025-68-0

FDA UNII

  • 29X0GX73RM

System Generated Number

  • 0078025680

Structure Descriptors

InChI

1S/C15H20N4O3/c1-4-22-13-11(20-2)6-9(7-12(13)21-3)5-10-8-18-15(17)19-14(10)16/h6-8H,4-5H2,1-3H3,(H4,16,17,18,19)

InChIKey

XWUQANDETYXOIU-UHFFFAOYSA-N

Smiles

CCOc1c(cc(cc1OC)Cc2cnc(nc2N)N)OC

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.34 (none)   EXP
Water Solubility 831 mg/L 25 EST
Vapor Pressure 4.39E-09 mm Hg 25 EST
Henry's Law Constant 3.17E-14 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.09E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.