LEVOMEFOLATE CALCIUM

Search structure
Synonyms:
Status: Approved (2010)
Entry Type: Small molecule
Molecule Category: UKNOWN
UNII: A9R10K3F2F

Structure
InChI Key VWBBRFHSPXRJQD-QNTKWALQSA-L
Smile CN1c2c([nH]c(N)nc2=O)NC[C@@H]1CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1.[Ca+2]
InChI
InChI=1S/C20H25N7O6.Ca/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29;/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31);/q;+2/p-2/t12-,13-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H23CaN7O6
Molecular Weight 497.53
AlogP -0.26
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 7.0
Number of Rotational Bond 9.0
Polar Surface Area 202.77
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 33.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1615371
FDA SRS A9R10K3F2F
CONTENTS