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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

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

Approval Year

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
Created by admin on Sat Dec 16 19:10:46 GMT 2023 , Edited by admin on Sat Dec 16 19:10:46 GMT 2023
PRIMARY
EPA CompTox
DTXSID801175357
Created by admin on Sat Dec 16 19:10:46 GMT 2023 , Edited by admin on Sat Dec 16 19:10:46 GMT 2023
PRIMARY
CAS
2088749-74-8
Created by admin on Sat Dec 16 19:10:46 GMT 2023 , Edited by admin on Sat Dec 16 19:10:46 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
CAS
960404-86-8
Created by admin on Sat Dec 16 19:10:46 GMT 2023 , Edited by admin on Sat Dec 16 19:10:46 GMT 2023
PRIMARY
CAS
461432-27-9
Created by admin on Sat Dec 16 19:10:46 GMT 2023 , Edited by admin on Sat Dec 16 19:10:46 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
PUBCHEM
59648701
Created by admin on Sat Dec 16 19:10:46 GMT 2023 , Edited by admin on Sat Dec 16 19:10:46 GMT 2023
PRIMARY