Tifolar

C20H19N5Na2O6CAS 150399-23-8471.38 g/mol

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HNNOHOHNO−OO−OHNHNNa+Na+
AmideCarboxylic acidPhenol

Properties

Molecular formula
C20H19N5Na2O6
Molar mass
471.38 g/mol
Exact mass
471.1131 Da
logP
0.15Crippen estimate
Polar surface area
192.3 Ų
H-bond donors / acceptors
7 / 6
Rotatable bonds
9
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
150399-23-8
SMILES
N=c1nc(O)c2c(CCc3ccc(C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)cc3)c[nH]c2[nH]1.[Na+].[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

9 names
  • L-Glutamic acid, N-[4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-D]pyrimidin-5-yl)ethyl]benzoyl]-, sodium salt (1:2)
  • L-Glutamic acid, N-[4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-, disodium salt
  • 1H-Pyrrolo[2,3-d]pyrimidine, L-glutamic acid deriv.
  • Pemetrexed disodium
  • Rolazar
  • LY 231514
  • Alimta
  • LY 231514 disodium
  • Pemetrexed sodium

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Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Pemetrexed137281-23-3Free acid

Similar compounds

Pemetrexed disodium hemipentahydrate357166-30-460 % similar 4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid137281-39-155 % similar Methyl 4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate155405-80-452 % similar Calcium folinate1492-18-850 % similar Calcium levofolinate80433-71-250 % similar Sodium methotrexate7413-34-548 % similar Zinc(II) (S)-2-(4-(methylamino)benzamido)pentanedioate66104-81-242 % similar Folic acid59-30-339 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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