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Lamotrigine

CAT: 0957-S3024-02Size: 1 gDry Ice: YesHazardous: No
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Description
Lamotrigine (BW-430C, LTG) is a novel anticonvulsant drug for inhibition of 5-HT with IC50 of 240 μM and 474 μM in human platelets and rat brain synaptosomes, and also is a sodium channel blocker.
CAS Number
84057-84-1
Synonyms
BW-430C, LTG
Target
Sodium Channel
Activity
Transmembrane Transporters
Molecular Formula
C9H7Cl2N5
Storage Conditions
2 years -80 in solvent

Chemical Information

Lamotrigine

Lamotrigine is a member of the class of 1,2,4-triazines in which the triazene skeleton is substituted by amino groups at positions 3 and 5, and by a 2,3-dichlorophenyl group at position 6. It has a role as a geroprotector, an antidepressant, an antimanic drug, a non-narcotic analgesic, an anticonvulsant, a xenobiotic, a calcium channel blocker, an excitatory amino acid antagonist, an EC 3.4.21.26 (prolyl oligopeptidase) inhibitor and an environmental contaminant. It is a dichlorobenzene, a member of 1,2,4-triazines and a primary arylamine.

CAS Number84057-84-1
PubChem CID3878
IUPAC Name6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine
Molecular FormulaC9H7Cl2N5
Molecular Weight256.09
XLogP1.4
Topological Polar Surface Area90.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity242
SMILES
C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C(N=N2)N)N
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)
InChIKey
PYZRQGJRPPTADH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lamotrigine
CAS: 84057-84-1
CID: 3878
Formula: C9H7Cl2N5
MW: 256.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight256.09
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass255.0078506
Monoisotopic Mass255.0078506
Topological Polar Surface Area90.7 Ų
Heavy Atom Count16
Formal Charge0
Complexity242
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
B1234-50Lamotrigine

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