lamotrigine   

GtoPdb Ligand ID: 2622

Synonyms: Lamictal®
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
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
SMILES / InChI / InChIKey
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)
InChI Key PYZRQGJRPPTADH-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1994))
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
IUPAC Name
6-(2,3-Dichlorophenyl)-1,2,4-triazine-3,5-diamine
International Nonproprietary Names
INN number INN
5638 lamotrigine
Synonyms
Lamictal®
Database Links
BindingDB Ligand 50031299
CAS Registry No. 84057-84-1
ChEBI CHEBI:138727
ChEMBL Ligand CHEMBL741
DrugBank Ligand DB00555
DrugCentral Ligand 1540
GtoPdb PubChem SID 135650506
PubChem CID 3878
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Wikipedia Lamotrigine

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Lamotrigine
Cat. No. 1611