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Details

Stereochemistry ACHIRAL
Molecular Formula C16H13F3N3OS
Molecular Weight 352.354
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of AG-2000 FREE BASE

SMILES

CC1=C2CSN3C4=CC=CC=C4N=C3[N+]2=CC=C1OCC(F)(F)F

InChI

InChIKey=XOYHDVHYLZPBAO-UHFFFAOYSA-N
InChI=1S/C16H13F3N3OS/c1-10-13-8-24-22-12-5-3-2-4-11(12)20-15(22)21(13)7-6-14(10)23-9-16(17,18)19/h2-7H,8-9H2,1H3/q+1

HIDE SMILES / InChI

Molecular Formula C16H13F3N3OS
Molecular Weight 352.354
Charge 1
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 03:21:11 UTC 2023
Edited
by admin
on Sat Dec 16 03:21:11 UTC 2023
Record UNII
7EMR32786O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AG-2000 FREE BASE
Code English
4-METHYL-3-(2,2,2-TRIFLUOROETHOXY)-5H-PYRIDO(1',2':4,5)(1,2,4)THIADIAZINO(2,3-A)BENZIMIDAZOL-13-IUM
Common Name English
5H-PYRIDO(1',2':4,5)(1,2,4)THIADIAZINO(2,3-A)BENZIMIDAZOL-13-IUM, 4-METHYL-3-(2,2,2-TRIFLUOROETHOXY)-
Systematic Name English
LANSOPRAZOLE SULFENAMIDE ACTIVE METABOLITE
Common Name English
Code System Code Type Description
PUBCHEM
163862
Created by admin on Sat Dec 16 03:21:12 UTC 2023 , Edited by admin on Sat Dec 16 03:21:12 UTC 2023
PRIMARY
EPA CompTox
DTXSID50149711
Created by admin on Sat Dec 16 03:21:12 UTC 2023 , Edited by admin on Sat Dec 16 03:21:12 UTC 2023
PRIMARY
CAS
111712-15-3
Created by admin on Sat Dec 16 03:21:12 UTC 2023 , Edited by admin on Sat Dec 16 03:21:12 UTC 2023
PRIMARY
FDA UNII
7EMR32786O
Created by admin on Sat Dec 16 03:21:12 UTC 2023 , Edited by admin on Sat Dec 16 03:21:12 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
PRODRUG -> METABOLITE ACTIVE
PRODRUG -> METABOLITE ACTIVE
PRODRUG -> METABOLITE ACTIVE
Related Record Type Details
ACTIVE MOIETY