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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H22F3N3O9S
Molecular Weight 561.485
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-GLUCURONYLOXY DEXLANSOPRAZOLE

SMILES

CC1=C(C[S@@+]([O-])C2=NC3=C(N2)C=CC(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)=C3)N=CC=C1OCC(F)(F)F

InChI

InChIKey=ZQGMQHYNKOFQRX-RANKXQOWSA-N
InChI=1S/C22H22F3N3O9S/c1-9-13(26-5-4-14(9)35-8-22(23,24)25)7-38(34)21-27-11-3-2-10(6-12(11)28-21)36-20-17(31)15(29)16(30)18(37-20)19(32)33/h2-6,15-18,20,29-31H,7-8H2,1H3,(H,27,28)(H,32,33)/t15-,16-,17+,18-,20+,38+/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H22F3N3O9S
Molecular Weight 561.485
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:00:03 GMT 2023
Edited
by admin
on Sat Dec 16 19:00:03 GMT 2023
Record UNII
R979044MOY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-GLUCURONYLOXY DEXLANSOPRAZOLE
Common Name English
5-HYDROXY DEXLANSOPRAZOLE GLUCURONIDE
Systematic Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2-((R)-((3-METHYL-4-(2,2,2-TRIFLUOROETHOXY)-2-PYRIDINYL)METHYL)SULFINYL)-1H-BENZIMIDAZOL-6-YL
Systematic Name English
Code System Code Type Description
FDA UNII
R979044MOY
Created by admin on Sat Dec 16 19:00:03 GMT 2023 , Edited by admin on Sat Dec 16 19:00:03 GMT 2023
PRIMARY
PUBCHEM
91810690
Created by admin on Sat Dec 16 19:00:03 GMT 2023 , Edited by admin on Sat Dec 16 19:00:03 GMT 2023
PRIMARY
CAS
1421696-08-3
Created by admin on Sat Dec 16 19:00:03 GMT 2023 , Edited by admin on Sat Dec 16 19:00:03 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
EM Subjects
MAJOR
PLASMA; URINE