DICL_CP_0318262 - DICL Database

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0318262

PubChem CID

3878

Molecular Formula

C₉H₇Cl₂N₅

Molecular Weight

256.096 g/mol

Synonyms/Alias

[lamotrigine; 84057-84-1; 6-(2;3-Dichlorophenyl)-1;2;4-triazine-3;5-diamine; Lamictal; Lamictal Cd; Lamictal XR; Lamotrigina; Lamotriginum; Lamitor; BW 430C; Lamotriginum [Latin]; Lamictal ODT; Lamotr...[lamotrigine; 84057-84-1; 6-(2;3-Dichlorophenyl)-1;2;4-triazine-3;5-diamine; Lamictal; Lamictal Cd; Lamictal XR; Lamotrigina; Lamotriginum; Lamitor; BW 430C; Lamotriginum [Latin]; Lamictal ODT; Lamotrigina [Spanish]; BW-430C; Labileno; 3;5-Diamino-6-(2;3-dichlorophenyl)-1;2;4-triazine; 1;2;4-Triazine-3;5-diamine; 6-(2;3-dichlorophenyl)-; C9H7Cl2N5; 3;5-Diamino-6-(2;3-dichlorophenyl)-as-triazine; EINECS 281-901-8; LTG;BW430C; MFCD00865333; NSC-759171; UNII-U3H27498KS; CHEBI:6367; DTXSID2023195; HSDB 7526; U3H27498KS; CHEMBL741; MLS000069685; DTXCID203195; Lamotrigine [USAN:USP:INN:BAN]; Lamotriginum (Latin); NSC 746307; NSC 759171; NCGC00015605-06; SMR000058464; LAMOTRIGINE (MART.); LAMOTRIGINE [MART.]; LAMOTRIGINE (USP-RS); LAMOTRIGINE [USP-RS]; LAMOTRIGINE (EP IMPURITY); LAMOTRIGINE [EP IMPURITY]; (6M)-6-(2;3-dichlorophenyl)-1;2;4-triazine-3;5-diamine; LAMOTRIGINE (EP MONOGRAPH); LAMOTRIGINE (USP IMPURITY); LAMOTRIGINE [EP MONOGRAPH]; LAMOTRIGINE [USP IMPURITY]; LAMOTRIGINE (USP MONOGRAPH); LAMOTRIGINE [USP MONOGRAPH]; 1;2;4-TRIAZINE-3;5-DIAMINE; 6-(2;3-DICHLOROPHENYL); Lamotrigine (USAN:USP:INN:BAN); Lamictal (TN); CAS-84057-84-1; BW430C; SR-01000000187; Lamotirigine; Epilepax; Lamotrigine ER; EUR-1048; LAMOTRIGINEKit; zine-3;5-diamine; Lamotrigine- Bio-X; LAMICTALODT; LAMICTALXR; SUBVENITE; GI 267119X; Opera_ID_12; Tocris-1611; hydroxymethyl progesterone; LAMOTRIGINE [MI]; LAMOTRIGINE [INN]; LAMOTRIGINE [JAN]; Lopac-L-3791; LAMOTRIGINE [HSDB]; LAMOTRIGINE [USAN]; L 3791; lamotrigine extended-release; Lamotrigine Extended Release; Lopac0_000688; SCHEMBL35439; LAMOTRIGINE [WHO-DD]; MLS000759486; MLS001077325; MLS001423991; BIDD:GT0794; Lamotrigine (JAN/USP/INN); lamotrigine chewable dispersible; Lamotrigine; >=98%; powder; GTPL2622; Lamotrigine; 1mg/ml in Ethanol; LAMOTRIGINE [ORANGE BOOK]; N03AX09; HMS2051C10; HMS2089M08; HMS2093P21; HMS2230L04; HMS3262I17; HMS3268G17; HMS3371O16; HMS3393C10; HMS3657A17; HMS3715H21; HMS3885M03; Pharmakon1600-01505610; AMY40805; BCP12156; HY-B0495; Lamotrigine 1.0 mg/ml in Methanol; Tox21_110179; Tox21_500688; BDBM50031299; HB0368; NSC746307; NSC759171; s3024; STK628377; AKOS005561147; Tox21_110179_1; 6-(2;2;4-triazine-3;5-diyldiamine; CCG-100856; DB00555; KS-1074; LP00688; NC00106; NSC-746307; SDCCGSBI-0050666.P003; SMP2_000303; NCGC00015605-01; NCGC00015605-02; NCGC00015605-03; NCGC00015605-04; NCGC00015605-05; NCGC00015605-07; NCGC00015605-08; NCGC00015605-09; NCGC00015605-10; NCGC00015605-23; NCGC00015605-24; NCGC00022936-02; NCGC00022936-04; NCGC00022936-05; NCGC00261373-01; AC-10298; AC-32483; BL166799; Lamotrigine 100 microg/mL in Acetonitrile; SBI-0050666.P002; 6-(2;3-Dichloro-phenyl)-[1;2;4]tria; DB-014839; EU-0100688; L0241; NS00000354; SW197486-3; D00354; EN300-120680; W13018; AB00384359-16; AB00384359_17; AB00384359_18; A840709; Q410346; 3;5-diamino-(2;3-dichlorophenyl)-1;2;4-triazine; Q-201221; SR-01000000187-2; SR-01000000187-4; SR-01000000187-7; BRD-K93460210-071-01-6; SR-01000000187-10; 3;5-diamino-6-(2;3;-dichlorophenyl)-1;2;4-triazine; F2173-0540; Z1532338577; 6-(2;3-Dichloro-phenyl)-[1;2;4]triazine-3;5-diamine; 6-[2;3-bis(chloranyl)phenyl]-1;2;4-triazine-3;5-diamine; Lamotrigine; British Pharmacopoeia (BP) Reference Standard; Lamotrigine; European Pharmacopoeia (EP) Reference Standard; 6-(2;3-Dichloro-phenyl)-[1;2;4]triazine-3;5-diamine(lamotrigine); GI 267119X; 6-(2;3-dichlorophenyl)-1;2;4-triazine-3;5-diamine; Lamotrigine; United States Pharmacopeia (USP) Reference Standard; Lamotrigine; Pharmaceutical Secondary Standard; Certified Reference Material; Lamotrigine for peak identification; European Pharmacopoeia (EP) Reference Standard; Lamotrigine for system suitability; European Pharmacopoeia (EP) Reference Standard; IYJ]

InChI Key

PYZRQGJRPPTADH-UHFFFAOYSA-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)

IUPAC Name

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

CAS Number

84057-84-1

Structure Information

Chemical Structure Visualization

SMILES Notation

2D Molecular Drawing

Carbon (C)

Hydrogen (H)

Oxygen (O)

Nitrogen (N)

Sulfur (S)

SDF

23 24 0 0 0 0 0 0 0 0999 V2000
-2.9347 1.3507 -0.0686 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5453 1.2242 -0.0943 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9330 0.022...

Download SDF File (1999 bytes)

Experimental Data

Activity Data

Target Ion Channel

Sodium channel protein type 8 subunit alpha

Uniprot Accession Number

Q9UQD0

Function

Inhibitor

Species

Homo sapiens (Human)

IC₅₀

IC₅₀: 78480 nM

EC₅₀

N/A (Not available)

K_i

N/A (Not available)

K_d

N/A (Not available)

Inhibition

N/A (Not available)

Experimental Conditions

pH 7.5

Holding Potential

70 mV mV

Temperature

Room Temperature

Test Method

Patch-clamping

Test Species

Not specified

Binding Information

Binding Site

Not specified

Binding Site Residue

Not specified

Disease Information

Related Disease

Not specified

References

DOI

10.1111/epi.17149

URL

N/A (Not available)

PMID

35037706

Patent

N/A (Not available)

Computed Properties

Heavy Atom Count

Rotatable Bonds

logP

2.0098

Complexity

64.1078

TPSA (Å²)

90.71

H-Bond Donors

H-Bond Acceptors

Ring Count

New Search

Molecular Details

Basic Molecular Information

Basic Information

Structure Information

Chemical Structure Visualization

Experimental Data

Activity Data

Experimental Conditions

Binding Information

Disease Information

References

Computed Properties