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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H29ClO8
Molecular Weight 468.925
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2S,3R,4R,5S,6R)-2-(4-CHLORO-3-((4-((1S)-3-HYDROXY-1-(HYDROXYMETHYL)PROPOXY)PHENYL)METHYL)PHENYL)-6-(HYDROXYMETHYL)TETRAHYDROPYRAN-3,4,5-TRIOL

SMILES

OCC[C@@H](CO)OC1=CC=C(CC2=C(Cl)C=CC(=C2)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C1

InChI

InChIKey=ZPUZKVKGWCMSOZ-QZMOQZSNSA-N
InChI=1S/C23H29ClO8/c24-18-6-3-14(23-22(30)21(29)20(28)19(12-27)32-23)10-15(18)9-13-1-4-16(5-2-13)31-17(11-26)7-8-25/h1-6,10,17,19-23,25-30H,7-9,11-12H2/t17-,19+,20+,21-,22+,23-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(2S,3R,4R,5S,6R)-2-(4-CHLORO-3-((4-((1S)-3-HYDROXY-1-(HYDROXYMETHYL)PROPOXY)PHENYL)METHYL)PHENYL)-6-(HYDROXYMETHYL)TETRAHYDROPYRAN-3,4,5-TRIOL
Systematic Name English
EMPAGLIFLOZIN METABOLITE M468/1
Common Name English
Code System Code Type Description
PUBCHEM
155928798
Created by admin on Sat Dec 16 19:00:22 GMT 2023 , Edited by admin on Sat Dec 16 19:00:22 GMT 2023
PRIMARY
FDA UNII
VPF7YG4E9B
Created by admin on Sat Dec 16 19:00:22 GMT 2023 , Edited by admin on Sat Dec 16 19:00:22 GMT 2023
PRIMARY
CAS
1938058-43-5
Created by admin on Sat Dec 16 19:00:22 GMT 2023 , Edited by admin on Sat Dec 16 19:00:22 GMT 2023
PRIMARY