Sodium methotrexate
Properties
- Molecular formula
- C20H20N8Na2O5
- Molar mass
- 498.41 g/mol
- Exact mass
- 498.1352 Da
- logP
- -0.66Crippen estimate
- Polar surface area
- 211.3 Ų
- H-bond donors / acceptors
- 6 / 9
- 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.
Identifiers
CAS number
7413-34-5SMILES
CN(Cc1cnc2nc(=N)[nH]c(N)c2n1)c1ccc(C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)cc1.[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.
Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- L-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-, sodium salt (1:2)
- Glutamic acid, N-[p-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-, disodium salt, L-(+)-
- L-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-, disodium salt
- Amethopterin sodium
- Methotrexate disodium salt
- Metotrexato lederle
- Methotrexate lederle
- Metoart
Work with Sodium methotrexate
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.
Similar compounds
Aminopterin54-62-651 % similar
Tifolar150399-23-848 % similar
Pralatrexate146464-95-147 % similar
Pemetrexed disodium hemipentahydrate357166-30-442 % similar
Calcium folinate1492-18-842 % similar
Calcium levofolinate80433-71-242 % similar
Levomefolate calcium151533-22-142 % similar
Calcium mefolinate26560-38-342 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.