LEVOLEUCOVORIN CALCIUM

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 778XL6VBS8
EPA CompTox DTXSID3045564
Parent Compound: LEVOLEUCOVORIN

Structure

InChI Key KVUAALJSMIVURS-QNTKWALQSA-L
Smiles Nc1nc(=O)c2c([nH]1)NC[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)N2C=O.[Ca+2]
InChI
InChI=1S/C20H23N7O7.Ca/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30;/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32);/q;+2/p-2/t12-,13-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H21CaN7O7
Molecular Weight 511.51
AlogP -0.73
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 7.0
Number of Rotational Bond 10.0
Polar Surface Area 219.84
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 34.0

Cross References

Resources Reference
ChEMBL CHEMBL1908361
FDA SRS 778XL6VBS8
PubChem 101641675
SureChEMBL SCHEMBL467144
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