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Details

Stereochemistry RACEMIC
Molecular Formula C15H13F2N3O7S2
Molecular Weight 449.406
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-DEMETHYL PANTOPRAZOLE-4-(HYDROGEN SULFATE)

SMILES

COC1=C(C[S+]([O-])C2=NC3=C(N2)C=CC(OC(F)F)=C3)N=CC=C1OS(O)(=O)=O

InChI

InChIKey=AQQVGUHYOGVLDA-UHFFFAOYSA-N
InChI=1S/C15H13F2N3O7S2/c1-25-13-11(18-5-4-12(13)27-29(22,23)24)7-28(21)15-19-9-3-2-8(26-14(16)17)6-10(9)20-15/h2-6,14H,7H2,1H3,(H,19,20)(H,22,23,24)

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
4-DEMETHYL PANTOPRAZOLE-4-(HYDROGEN SULFATE)
Common Name English
4-PYRIDINOL, 2-(((6-(DIFLUOROMETHOXY)-1H-BENZIMIDAZOL-2-YL)SULFINYL)METHYL)-3-METHOXY-, 4-(HYDROGEN SULFATE)
Systematic Name English
Code System Code Type Description
FDA UNII
V65S6495BX
Created by admin on Sat Dec 16 09:09:50 GMT 2023 , Edited by admin on Sat Dec 16 09:09:50 GMT 2023
PRIMARY
CAS
1189856-53-8
Created by admin on Sat Dec 16 09:09:50 GMT 2023 , Edited by admin on Sat Dec 16 09:09:50 GMT 2023
PRIMARY
PUBCHEM
45038893
Created by admin on Sat Dec 16 09:09:50 GMT 2023 , Edited by admin on Sat Dec 16 09:09:50 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of PANTOPRAZOLE
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