CITICOLINE SODIUM

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Synonyms
Status
Molecule Category Salt-form
UNII 7XQ5AKD9YD
EPA CompTox DTXSID4048981

Structure

InChI Key YWAFNFGRBBBSPD-OCMLZEEQSA-M
Smiles C[N+](C)(C)CCOP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O.[Na+]
InChI
InChI=1S/C14H26N4O11P2.Na/c1-18(2,3)6-7-26-30(22,23)29-31(24,25)27-8-9-11(19)12(20)13(28-9)17-5-4-10(15)16-14(17)21;/h4-5,9,11-13,19-20H,6-8H2,1-3H3,(H3-,15,16,21,22,23,24,25);/q;+1/p-1/t9-,11-,12-,13-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H25N4NaO11P2
Molecular Weight 510.31
AlogP -2.23
Hydrogen Bond Acceptor 13.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 10.0
Polar Surface Area 215.72
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 31.0

Cross References

Resources Reference
ChEMBL CHEMBL1256994
FDA SRS 7XQ5AKD9YD
PubChem 36605
SureChEMBL SCHEMBL667104
CONTENTS