3-HYDROXYDESLORATADINE O-GLUCURONIDE

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

Structure Search

SMILES

O[C@@H]1[C@@H](O)[C@H](OC2=CN=C3C(CCC4=C(C=CC(Cl)=C4)C3=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 `Sat Dec 16 17:06:25 UTC 2023` Edited by `admin` on `Sat Dec 16 17:06:25 UTC 2023`
Record UNII	D3KVV9T2MG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-HYDROXYDESLORATADINE O-GLUCURONIDE

Common 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

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 8-CHLORO-6,11-DIHYDRO-11-(4-PIPERIDINYLIDENE)-5H-BENZO(5,6)CYCLOHEPTA(1,2-B)PYRIDIN-3-YL

Systematic Name

English

Code System Code Type Description

FDA UNII

D3KVV9T2MG

Created by admin on Sat Dec 16 17:06:26 UTC 2023 , Edited by admin on Sat Dec 16 17:06:26 UTC 2023

PRIMARY

PUBCHEM

29918868

Created by admin on Sat Dec 16 17:06:26 UTC 2023 , Edited by admin on Sat Dec 16 17:06:26 UTC 2023

PRIMARY

CAS

774538-89-5

Created by admin on Sat Dec 16 17:06:26 UTC 2023 , Edited by admin on Sat Dec 16 17:06:26 UTC 2023

PRIMARY

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IN VITRO

Amount: