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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 5-SULFONYLOXY DEXLANSOPRAZOLE SULFIDE

SMILES

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

InChI

InChIKey=ATNZKLWZEIIQEM-UHFFFAOYSA-N
InChI=1S/C16H14F3N3O5S2/c1-9-13(20-5-4-14(9)26-8-16(17,18)19)7-28-15-21-11-3-2-10(6-12(11)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 09:08:56 UTC 2023
Edited
by admin
on Sat Dec 16 09:08:56 UTC 2023
Record UNII
Q9TLQ5PN5P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-SULFONYLOXY DEXLANSOPRAZOLE SULFIDE
Common Name English
5-HYDROXY DEXLANSOPRAZOLE SULFATE
Systematic Name English
2-(((3-METHYL-4-(2,2,2-TRIFLUOROETHOXY)PYRIDIN-2-YL)METHYL)THIO)-1H-BENZO(D)IMIDAZOL-5-YL HYDROGEN SULFATE
Systematic Name English
Code System Code Type Description
FDA UNII
Q9TLQ5PN5P
Created by admin on Sat Dec 16 09:08:57 UTC 2023 , Edited by admin on Sat Dec 16 09:08:57 UTC 2023
PRIMARY
CAS
1421696-11-8
Created by admin on Sat Dec 16 09:08:57 UTC 2023 , Edited by admin on Sat Dec 16 09:08:57 UTC 2023
PRIMARY
PUBCHEM
91810693
Created by admin on Sat Dec 16 09:08:57 UTC 2023 , Edited by admin on Sat Dec 16 09:08:57 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
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MINOR
URINE