Chemical Compound

methotrexate

CAS Registry Number 59-05-2
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methotrexate chemical structure
Primary Record

methotrexate

In stock
9,412 g
Purity
98.7 %
CAS
59-05-2

Compound Identifiers & Properties

CAS
59-05-2
PubChem CID
24906324
SMILES
CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]
Canonical SMILES
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1

Names & Synonyms

  • methotrexate
  • methotrexate(2-)
  • 3eig
  • 3qxt
  • 3qxv
  • 2qk8
  • CHEBI:50681
  • CJ-05177
  • CJ-23879
  • A832135
  • Q27122183
  • (2S)-2-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzamido)pentanedioate
  • (2S)-2-[[[4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioate
  • (2S)-2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioate
  • 59-05-2