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Details

Stereochemistry ACHIRAL
Molecular Formula C16H14F3N3O5S2
Molecular Weight 449.425
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-SULFONYLOXY LANSOPRAZOLE SULFIDE

SMILES

CC1=C(CSC2=NC3=C(N2)C(OS(O)(=O)=O)=CC=C3)N=CC=C1OCC(F)(F)F

InChI

InChIKey=KMFXPGJBUJZLEE-UHFFFAOYSA-N
InChI=1S/C16H14F3N3O5S2/c1-9-11(20-6-5-12(9)26-8-16(17,18)19)7-28-15-21-10-3-2-4-13(14(10)22-15)27-29(23,24)25/h2-6H,7-8H2,1H3,(H,21,22)(H,23,24,25)

HIDE SMILES / InChI

Molecular Formula C16H14F3N3O5S2
Molecular Weight 449.425
Charge 0
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 10:53:42 UTC 2023
Edited
by admin
on Sat Dec 16 10:53:42 UTC 2023
Record UNII
XFR534C6MJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-SULFONYLOXY LANSOPRAZOLE SULFIDE
Common Name English
4-SULFONYLOXY DEXLANSOPRAZOLE SULFIDE
Common Name English
1H-BENZIMIDAZOL-7-OL, 2-(((3-METHYL-4-(2,2,2-TRIFLUOROETHOXY)-2-PYRIDINYL)METHYL)THIO)-, 7-(HYDROGEN SULFATE)
Systematic Name English
Code System Code Type Description
CAS
1421609-89-3
Created by admin on Sat Dec 16 10:53:42 UTC 2023 , Edited by admin on Sat Dec 16 10:53:42 UTC 2023
PRIMARY
FDA UNII
XFR534C6MJ
Created by admin on Sat Dec 16 10:53:42 UTC 2023 , Edited by admin on Sat Dec 16 10:53:42 UTC 2023
PRIMARY
PUBCHEM
91810688
Created by admin on Sat Dec 16 10:53:42 UTC 2023 , Edited by admin on Sat Dec 16 10:53:42 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MINOR
FECAL; PLASMA