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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H15Cl2N5O6
Molecular Weight 432.216
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LAMOTRIGINE N5-GLUCURONIDE

SMILES

NC1=NC(N[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)=C(N=N1)C3=C(Cl)C(Cl)=CC=C3

InChI

InChIKey=RARLFTPVZSDFBL-XPORZQOISA-N
InChI=1S/C15H15Cl2N5O6/c16-5-3-1-2-4(6(5)17)7-12(20-15(18)22-21-7)19-13-10(25)8(23)9(24)11(28-13)14(26)27/h1-3,8-11,13,23-25H,(H,26,27)(H3,18,19,20,22)/t8-,9-,10+,11-,13+/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H15Cl2N5O6
Molecular Weight 432.216
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:40:02 GMT 2023
Edited
by admin
on Sat Dec 16 09:40:02 GMT 2023
Record UNII
839581E1YB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LAMOTRIGINE N5-GLUCURONIDE
Common Name English
Code System Code Type Description
FDA UNII
839581E1YB
Created by admin on Sat Dec 16 09:40:02 GMT 2023 , Edited by admin on Sat Dec 16 09:40:02 GMT 2023
PRIMARY
EPA CompTox
DTXSID30744248
Created by admin on Sat Dec 16 09:40:02 GMT 2023 , Edited by admin on Sat Dec 16 09:40:02 GMT 2023
PRIMARY
CAS
136565-77-0
Created by admin on Sat Dec 16 09:40:02 GMT 2023 , Edited by admin on Sat Dec 16 09:40:02 GMT 2023
PRIMARY
PUBCHEM
71236569
Created by admin on Sat Dec 16 09:40:02 GMT 2023 , Edited by admin on Sat Dec 16 09:40:02 GMT 2023
PRIMARY
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