(2S)-2-(3-{2-Bromo-5-[(2,4-Diaminopyrimidin-1-Ium-5-Yl)Methyl]-3-Methoxyphenoxy}Propyl)Pentanedioate

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Properties Simple | Detailed

Formula C20H24BrN4O6-
IUPAC Name (2s)-2-[3-[2-bromo-5-[(2,4-diaminopyrimidin-1-ium-5-yl)methyl]-3-methoxyphenoxy]propyl]pentanedioate
Molecular Mass 496.332 g·mol−1
Heat of Formation 1864.0 ± 16.7 kJ·mol−1
Dipole Moment 4.07 ± 1.08 D
Volume 501.73 Å 3
Surface Area 452.53 Å 2
Point Group Symmetry C1
Synonyms
  • (2s)-2-[3-[2-bromo-5-[(2,4-diamino-5-pyrimidin-1-iumyl)methyl]-3-methoxyphenoxy]propyl]pentanedioate
  • (2s)-2-[3-[2-bromo-5-[(2,4-diaminopyrimidin-1-ium-5-yl)methyl]-3-methoxy-phenoxy]propyl]glutarate
  • (2s)-2-[3-[2-bromo-5-[(2,4-diaminopyrimidin-1-ium-5-yl)methyl]-3-methoxy-phenoxy]propyl]pentanedioate
  • brodimoprim-4,6-dicarboxylate
InChIKey SZAVCZNFKJSWRN-LBPRGKRZSA-M
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Elements C O Br N