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Details

Stereochemistry ACHIRAL
Molecular Formula C16H14F3N3O3S
Molecular Weight 385.361
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LANSOPRAZOLE SULFONE

SMILES

CC1=C(CS(=O)(=O)C2=NC3=C(N2)C=CC=C3)N=CC=C1OCC(F)(F)F

InChI

InChIKey=TVMJMCGRSSSSDJ-UHFFFAOYSA-N
InChI=1S/C16H14F3N3O3S/c1-10-13(20-7-6-14(10)25-9-16(17,18)19)8-26(23,24)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)

HIDE SMILES / InChI
Molecular Formula C16H14F3N3O3S
Molecular Weight 385.361
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
134361
Substance Class Chemical
Created
by admin
on Thu Jul 06 02:52:38 UTC 2023
Edited
by admin
on Thu Jul 06 02:52:38 UTC 2023
Record UNII
A62FAW18P1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LANSOPRAZOLE SULFONE
Common Name English
LANSOPRAZOLE RELATED COMPOUND A [USP-RS]
Common Name English
1H-BENZIMIDAZOLE, 2-(((3-METHYL-4-(2,2,2-TRIFLUOROETHOXY)-2-PYRIDINYL)METHYL)SULFONYL)-
Systematic Name English
LANSOPRAZOLE RELATED COMPOUND A
USP  
Common Name English
LANSOPRAZOLE IMPURITY B [EP IMPURITY]
Common Name English
AG-1813
Code English
LANSOPRAZOLE RELATED COMPOUND A [USP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
A62FAW18P1
Created by admin on Thu Jul 06 02:52:39 UTC 2023 , Edited by admin on Thu Jul 06 02:52:39 UTC 2023
PRIMARY
PUBCHEM
10385385
Created by admin on Thu Jul 06 02:52:39 UTC 2023 , Edited by admin on Thu Jul 06 02:52:39 UTC 2023
PRIMARY
RS_ITEM_NUM
1356927
Created by admin on Thu Jul 06 02:52:39 UTC 2023 , Edited by admin on Thu Jul 06 02:52:39 UTC 2023
PRIMARY
EPA CompTox
DTXSID80157268
Created by admin on Thu Jul 06 02:52:39 UTC 2023 , Edited by admin on Thu Jul 06 02:52:39 UTC 2023
PRIMARY
CAS
131926-99-3
Created by admin on Thu Jul 06 02:52:39 UTC 2023 , Edited by admin on Thu Jul 06 02:52:39 UTC 2023
PRIMARY
Related Record Type Details
Structure of DEXLANSOPRAZOLE
PARENT -> METABOLITE
In poor metabolizer; mediator: CYP3A
MAJOR
PLASMA
Structure of LANSOPRAZOLE
PARENT -> METABOLITE
Related Record Type Details
Structure of LANSOPRAZOLE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
NIH
NCATS
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