U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C19H14Cl4N10
Molecular Weight 524.193
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LAMOTRIGINE 3,3-DIMER

SMILES

NC1=NC(NCNC2=NC(N)=C(N=N2)C3=CC=CC(Cl)=C3Cl)=NN=C1C4=C(Cl)C(Cl)=CC=C4

InChI

InChIKey=CYUQLZBLSXKYCJ-UHFFFAOYSA-N
InChI=1S/C19H14Cl4N10/c20-10-5-1-3-8(12(10)22)14-16(24)28-18(32-30-14)26-7-27-19-29-17(25)15(31-33-19)9-4-2-6-11(21)13(9)23/h1-6H,7H2,(H3,24,26,28,32)(H3,25,27,29,33)

HIDE SMILES / InChI

Molecular Formula C19H14Cl4N10
Molecular Weight 524.193
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:53:53 GMT 2023
Edited
by admin
on Sat Dec 16 18:53:53 GMT 2023
Record UNII
P89B4662KJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LAMOTRIGINE 3,3-DIMER
Common Name English
1,2,4-TRIAZINE-3,5-DIAMINE, N3,N3'-METHYLENEBIS(6-(2,3-DICHLOROPHENYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
P89B4662KJ
Created by admin on Sat Dec 16 18:53:53 GMT 2023 , Edited by admin on Sat Dec 16 18:53:53 GMT 2023
PRIMARY
CAS
1797983-48-2
Created by admin on Sat Dec 16 18:53:53 GMT 2023 , Edited by admin on Sat Dec 16 18:53:53 GMT 2023
PRIMARY
PUBCHEM
125277334
Created by admin on Sat Dec 16 18:53:53 GMT 2023 , Edited by admin on Sat Dec 16 18:53:53 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY