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

Details

Stereochemistry ACHIRAL
Molecular Formula C16H14F2N3O3S
Molecular Weight 366.362
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of 9-(DIFLUOROMETHOXY)-3,4-DIMETHOXY-5H-PYRIDO(1',2':4,5)(1,2,4)THIADIAZINO(2,3-A)BENZIMIDAZOL-13-IUM

SMILES

COC1=CC=[N+]2C3=NC4=C(C=C(OC(F)F)C=C4)N3SCC2=C1OC

InChI

InChIKey=MKKLIANODHXTFO-UHFFFAOYSA-N
InChI=1S/C16H14F2N3O3S/c1-22-13-5-6-20-12(14(13)23-2)8-25-21-11-7-9(24-15(17)18)3-4-10(11)19-16(20)21/h3-7,15H,8H2,1-2H3/q+1

HIDE SMILES / InChI

Molecular Formula C16H14F2N3O3S
Molecular Weight 366.362
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 14:24:50 UTC 2023
Edited
by admin
on Sat Dec 16 14:24:50 UTC 2023
Record UNII
U5H68DGQ8L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
9-(DIFLUOROMETHOXY)-3,4-DIMETHOXY-5H-PYRIDO(1',2':4,5)(1,2,4)THIADIAZINO(2,3-A)BENZIMIDAZOL-13-IUM
Systematic Name English
5H-PYRIDO(1',2':4,5)(1,2,4)THIADIAZINO(2,3-A)BENZIMIDAZOL-13-IUM, 9-(DIFLUOROMETHOXY)-3,4-DIMETHOXY-
Systematic Name English
PANTOPRAZOLE METABOLITE ACTIVE SULFENAMIDE
Common Name English
Code System Code Type Description
PUBCHEM
15163517
Created by admin on Sat Dec 16 14:24:51 UTC 2023 , Edited by admin on Sat Dec 16 14:24:51 UTC 2023
PRIMARY
CAS
138786-74-0
Created by admin on Sat Dec 16 14:24:51 UTC 2023 , Edited by admin on Sat Dec 16 14:24:51 UTC 2023
PRIMARY
FDA UNII
U5H68DGQ8L
Created by admin on Sat Dec 16 14:24:51 UTC 2023 , Edited by admin on Sat Dec 16 14:24:51 UTC 2023
PRIMARY
Related Record Type Details
PRODRUG -> METABOLITE ACTIVE