CAS RN 357166-30-4
IUPAC Name:
disodium (2S)-2-{[4-(2-{2-amino-4-oxo-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethyl)phenyl]formamido}pentanedioate
Synonyms:
disodium (2S)-2-{[4-(2-{2-amino-4-oxo-3H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethyl)phenyl]formamido}pentanedioate
Molecular Weight (g/mol):
516.43
Molecular Formula:
C20H19N5Na2O6 . 5/2 H2O
InChi Key:
NYDXNILOWQXUOF-CETBVFFHNA-L
SMILES:
[Na+].[Na+].NC1=NC2=C(C(CCC3=CC=C(C=C3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)=CN2)C(=O)N1
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Pemetrexed disodium salt 2.5 hydrate, 98%, Thermo Scientific Chemicals
CAS: 357166-30-4 Molecular Formula: C20H19N5Na2O6 . 5/2 H2O Molecular Weight (g/mol): 516.43 MDL Number: MFCD13194950 InChI Key: NYDXNILOWQXUOF-CETBVFFHNA-L Synonym: pemetrexed disodium hemipenta hydrate PubChem CID: 131673885 IUPAC Name: (2S)-2-[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid;molecular hydrogen;sodium;pentahydrate SMILES: [Na+].[Na+].NC1=NC2=C(C(CCC3=CC=C(C=C3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)=CN2)C(=O)N1