LAMOTRIGINE 2-N-GLUCURONIDE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII VP2T2N5MA5

Structure

InChI Key IEVMENHZPOWVGO-XPORZQOISA-O
Smiles Nc1nc(N)[n+](nc1-c1cccc(Cl)c1Cl)[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
InChI
InChI=1S/C15H15Cl2N5O6/c16-5-3-1-2-4(6(5)17)7-12(18)20-15(19)22(21-7)13-10(25)8(23)9(24)11(28-13)14(26)27/h1-3,8-11,13,23-25H,(H4,18,19,20,26,27)/p+1/t8-,9-,10+,11-,13+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H16Cl2N5O6
Molecular Weight 432.05
AlogP -4.8
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 3.0
Polar Surface Area 190.32
Heavy Atoms 28.0

Cross References

Resources Reference
NORMAN SUSDAT
FDA SRS VP2T2N5MA5
PubChem 166451407
ChemSpider 144089.0
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