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Details

Stereochemistry RACEMIC
Molecular Formula C15H13F2N3O4S
Molecular Weight 369.343
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-DEMETHYL PANTOPRAZOLE

SMILES

COC1=C(C[S+]([O-])C2=NC3=C(N2)C=CC(OC(F)F)=C3)N=CC=C1O

InChI

InChIKey=LVQDPJBMSVUBTN-UHFFFAOYSA-N
InChI=1S/C15H13F2N3O4S/c1-23-13-11(18-5-4-12(13)21)7-25(22)15-19-9-3-2-8(24-14(16)17)6-10(9)20-15/h2-6,14H,7H2,1H3,(H,18,21)(H,19,20)

HIDE SMILES / InChI

Molecular Formula C15H13F2N3O4S
Molecular Weight 369.343
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:59:53 GMT 2023
Edited
by admin
on Sat Dec 16 08:59:53 GMT 2023
Record UNII
R0P3127K6J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-DEMETHYL PANTOPRAZOLE
Common Name English
4-PYRIDINOL, 2-(((6-(DIFLUOROMETHOXY)-1H-BENZIMIDAZOL-2-YL)SULFINYL)METHYL)-3-METHOXY-
Systematic Name English
Code System Code Type Description
PUBCHEM
9951196
Created by admin on Sat Dec 16 08:59:53 GMT 2023 , Edited by admin on Sat Dec 16 08:59:53 GMT 2023
PRIMARY
FDA UNII
R0P3127K6J
Created by admin on Sat Dec 16 08:59:53 GMT 2023 , Edited by admin on Sat Dec 16 08:59:53 GMT 2023
PRIMARY
CAS
141854-24-2
Created by admin on Sat Dec 16 08:59:53 GMT 2023 , Edited by admin on Sat Dec 16 08:59:53 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MAJOR
PLASMA