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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H27ClN2O7
Molecular Weight 502.944
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-HYDROXYDESLORATADINE O-GLUCURONIDE

SMILES

O[C@@H]1[C@@H](O)[C@H](OC2=CN=C3C(CCC4=CC(Cl)=CC=C4C3=C5CCNCC5)=C2)O[C@@H]([C@H]1O)C(O)=O

InChI

InChIKey=XLMRWMPRWQUMIJ-LYVDORBWSA-N
InChI=1S/C25H27ClN2O7/c26-15-3-4-17-13(9-15)1-2-14-10-16(11-28-19(14)18(17)12-5-7-27-8-6-12)34-25-22(31)20(29)21(30)23(35-25)24(32)33/h3-4,9-11,20-23,25,27,29-31H,1-2,5-8H2,(H,32,33)/t20-,21-,22+,23-,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H27ClN2O7
Molecular Weight 502.944
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 Wed Apr 02 08:45:21 GMT 2025
Edited
by admin
on Wed Apr 02 08:45:21 GMT 2025
Record UNII
D3KVV9T2MG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-HYDROXYDESLORATADINE O-GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 8-CHLORO-6,11-DIHYDRO-11-(4-PIPERIDINYLIDENE)-5H-BENZO(5,6)CYCLOHEPTA(1,2-B)PYRIDIN-3-YL
Preferred Name English
8-CHLORO-6,11-DIHYDRO-11-(4-PIPERIDINYLIDENE)-5H-BENZO(5,6)CYCLOHEPTA(1,2-B)PYRIDIN-3-YL .BETA.-D-GLUCOPYRANOSIDURONIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
D3KVV9T2MG
Created by admin on Wed Apr 02 08:45:21 GMT 2025 , Edited by admin on Wed Apr 02 08:45:21 GMT 2025
PRIMARY
PUBCHEM
29918868
Created by admin on Wed Apr 02 08:45:21 GMT 2025 , Edited by admin on Wed Apr 02 08:45:21 GMT 2025
PRIMARY
CAS
774538-89-5
Created by admin on Wed Apr 02 08:45:21 GMT 2025 , Edited by admin on Wed Apr 02 08:45:21 GMT 2025
PRIMARY
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