lamotrigine   Click here for help

GtoPdb Ligand ID: 2622

Synonyms: Lamictal®
Approved drug
lamotrigine is an approved drug (FDA (1994))
Compound class: Synthetic organic
Comment: Lamotrigine is an anticonvulsant drug.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 90.71
Molecular weight 255.01
XLogP 1.99
No. Lipinski's rules broken 0
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Canonical SMILES Nc1nnc(c(n1)N)c1cccc(c1Cl)Cl
Isomeric SMILES Nc1nnc(c(n1)N)c1cccc(c1Cl)Cl
InChI InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1994))
WHO Essential Medicine WHO Essential Medicines List (EML) (22nd List, 2021). Access PDF version.
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IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
5638 lamotrigine
Synonyms Click here for help
Database Links Click here for help
BindingDB Ligand 50031299
CAS Registry No. 84057-84-1
ChEBI CHEBI:138727
DrugBank Ligand DB00555
DrugCentral Ligand 1540
GtoPdb PubChem SID 135650506
PubChem CID 3878
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UniChem Compound Search for chemical match using the InChIKey PYZRQGJRPPTADH-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey PYZRQGJRPPTADH-UHFFFAOYSA-N
Wikipedia Lamotrigine

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Lamotrigine (links to external site)
Cat. No. 1611