Lamotrigine

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Systematic / IUPAC Name: 6-(2,3-Dichlorophenyl)-1,2,4-triazine-3,5-diamine

ID: Reference779

Other Names: 3,5-Diamino-6-(2,3-dichlorophenyl)-1,2,4-triazine;
1,2,4-Triazine-3,5-diamine, 6-(2,3-dichlorophenyl)-;
Lamictal;
Labileno;
Crisomet

Formula: C9H7Cl2N5

Class: Therapeutics/Prescription Drugs

Spectral Data

Lamotrigine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments LTQ Orbitrap XL; Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 3
No. of Spectra 175
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/12/2016 11:14:22 AM
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Identificators

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
Canonical SMILES C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C(N=N2)N)N
CAS 84057841
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Other Names 3,5-Diamino-6-(2,3-dichlorophenyl)-1,2,4-triazine;
1,2,4-Triazine-3,5-diamine, 6-(2,3-dichlorophenyl)-;
Lamictal;
Labileno;
Crisomet;
Lamictin

In Other Databases

PubChem 3878
ChemSpider 3741
Wikipedia Lamotrigine
DrugBank APRD00570
KEGG D00354
ChEMBL CHEMBL741
HMDb HMDB05043; HMDB14695
ChemIDPlus 084057841
ChEBI CHEBI:6367