Calcium levofolinate

C20H21CaN7O7CAS 80433-71-2511.51 g/mol

HNNOHHNHNOHNO−OO−ONOHNCa2+
AmideCarboxylic acidPhenolSecondary amine

Properties

Molecular formula
C20H21CaN7O7
Molar mass
511.51 g/mol
Exact mass
511.1128 Da
logP
-0.87Crippen estimate
Polar surface area
220.8 Ų
H-bond donors / acceptors
8 / 9
Rotatable bonds
10
Stereocentres
S, Sin SMILES atom order

Hazards

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

Identifiers

CAS number
80433-71-2
SMILES
N=c1nc(O)c2c(NC[C@H](CNc3ccc(C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)cc3)N2C=O)[nH]1.[Ca+2]
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

11 names
  • L-Glutamic acid, N-[4-[[[(6S)-2-amino-5-formyl-3,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl]methyl]amino]benzoyl]-, calcium salt (1:1)
  • L-Glutamic acid, N-[4-[[(2-amino-5-formyl-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-, calcium salt (1:1), (S)-
  • L-Glutamic acid, N-[4-[[[(6S)-2-amino-5-formyl-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl]methyl]amino]benzoyl]-, calcium salt (1:1)
  • (S)-Leucovorin calcium salt (1:1)
  • Calcium (6S)-folinate
  • Levoleucovorin calcium
  • Isovorin
  • 5-Formyl-(6S)-tetrahydrofolate calcium salt
  • L-Folinic acid calcium salt
  • CL 307782
  • Elvorine

Work with Calcium levofolinate

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

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere