(1S)-1,5-Anhydro-1-C-[4-chloro-3-[(2-ethoxyphenyl)methyl]phenyl]-D-glucitol

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H25ClO6
Molecular Weight	408.873
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (1S)-1,5-Anhydro-1-C-[4-chloro-3-[(2-ethoxyphenyl)methyl]phenyl]-D-glucitol

Structure Search

SMILES

CCOC1=CC=CC=C1CC2=CC(=CC=C2Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O

InChI

InChIKey=GZUADDXLXVDFHI-ADAARDCZSA-N

InChI=1S/C21H25ClO6/c1-2-27-16-6-4-3-5-12(16)9-14-10-13(7-8-15(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H25ClO6
Molecular Weight	408.873
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 17:32:30 GMT 2025` Edited by `admin` on `Wed Apr 02 17:32:30 GMT 2025`
Record UNII	A7QPS7PAA4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Dapagliflozin Ortho Isomer

Preferred Name

English

(1S)-1,5-Anhydro-1-C-[4-chloro-3-[(2-ethoxyphenyl)methyl]phenyl]-D-glucitol

Systematic Name

English

(2S,3R,4R,5S,6R)-2-(4-Chloro-3-(2-ethoxybenzyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

Systematic Name

English

D-Glucitol, 1,5-anhydro-1-C-[4-chloro-3-[(2-ethoxyphenyl)methyl]phenyl]-, (1S)-

Systematic Name

English

Code System Code Type Description

CAS

2040305-05-1

Created by admin on Wed Apr 02 17:32:30 GMT 2025 , Edited by admin on Wed Apr 02 17:32:30 GMT 2025

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FDA UNII

A7QPS7PAA4

Created by admin on Wed Apr 02 17:32:30 GMT 2025 , Edited by admin on Wed Apr 02 17:32:30 GMT 2025

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PUBCHEM

122677938

Created by admin on Wed Apr 02 17:32:30 GMT 2025 , Edited by admin on Wed Apr 02 17:32:30 GMT 2025

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