1-C-[4-Chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-α-D-glucopyranose

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H25ClO7
Molecular Weight	424.872
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-C-[4-Chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-α-D-glucopyranose

Structure Search

SMILES

CCOC1=CC=C(CC2=C(Cl)C=CC(=C2)[C@]3(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C1

InChI

InChIKey=KYDGWGYAUCJZDV-ADAARDCZSA-N

InChI=1S/C21H25ClO7/c1-2-28-15-6-3-12(4-7-15)9-13-10-14(5-8-16(13)22)21(27)20(26)19(25)18(24)17(11-23)29-21/h3-8,10,17-20,23-27H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H25ClO7
Molecular Weight	424.872
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 19:10:46 GMT 2023` Edited by `admin` on `Sat Dec 16 19:10:46 GMT 2023`
Record UNII	2GLW9C3QQ3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-C-[4-Chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-α-D-glucopyranose

Systematic Name

English

Dapagliflozin Hydroxy Impurity

Common Name

English

α-D-Glucopyranose, 1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-

Systematic Name

English

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

Systematic Name

English

D-Glucose, 1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-

Systematic Name

English

Hydroxy Dapagliflozin

Common Name

English

Code System Code Type Description

FDA UNII

2GLW9C3QQ3