Lamotrigine

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CAT#:0926-ID58057-02Size:0.05 kg

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CAS Number

84057-84-1

Synonyms

6- (2,3-Dichlorophenyl) -1,2,4-triazine-3,5-diamine;3,5-Diamino-6- (2,3-dichlorophenyl) -1,2,4-triazine

MDL Number

MFCD00865333

Smiles

C1=CC (=C (C (=C1) Cl) Cl) C2=C (N=C (N=N2) N) N

Molecular Formula

C9H7Cl2N5

Molecular Weight

256.09 g/mol

Controlled

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 Number	84057-84-1
PubChem CID	3878
IUPAC Name	6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine
Molecular Formula	C9H7Cl2N5
Molecular Weight	256.09
XLogP	1.4
Topological Polar Surface Area	90.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	16
Formal Charge	0
Complexity	242

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

CAS: 84057-84-1

CID: 3878

Formula: C9H7Cl2N5

MW: 256.09

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	256.09
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	255.0078506
Monoisotopic Mass	255.0078506
Topological Polar Surface Area	90.7 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	242
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
B1234-50	Lamotrigine

Lamotrigine

Chemical Information

Alternative Products

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