Methotrexate

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Properties Simple | Detailed

Formula C20H23N8O5+
IUPAC Name (2s)-2-[[4-[(2,4-diaminopteridin-8-ium-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
Molecular Mass 455.447 g·mol−1
Heat of Formation -596.8 ± 16.7 kJ·mol−1
Dipole Moment 7.87 ± 1.08 D
Volume 527.17 Å 3
Surface Area 397.31 Å 2
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[(2,4-diaminopteridin-8-ium-6-yl)methyl-methyl-amino]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[(2,4-diaminopteridin-8-ium-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[(2,4-diaminopteridin-8-ium-6-yl)methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[[4-[(2,4-diamino-6-pteridin-8-iumyl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
InChIKey FBOZXECLQNJBKD-ZDUSSCGKSA-O
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