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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H23ClO8
Molecular Weight 450.866
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Keto ertugliflozin

SMILES

CCOC1=CC=C(C=C1)C(=O)C2=C(Cl)C=CC(=C2)[C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O

InChI

InChIKey=WYZFRTRZLWBWEU-CUUWFGFTSA-N
InChI=1S/C22H23ClO8/c1-2-29-14-6-3-12(4-7-14)17(25)15-9-13(5-8-16(15)23)22-20(28)18(26)19(27)21(10-24,31-22)11-30-22/h3-9,18-20,24,26-28H,2,10-11H2,1H3/t18-,19-,20+,21-,22-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Keto ertugliflozin
Common Name English
1,6-Anhydro-1-C-[4-chloro-3-(4-ethoxybenzoyl)phenyl]-5-C-(hydroxymethyl)-β-L-idopyranose
Systematic Name English
β-L-Idopyranose, 1,6-anhydro-1-C-[4-chloro-3-(4-ethoxybenzoyl)phenyl]-5-C-(hydroxymethyl)-
Systematic Name English
(2-chloro-5-((1s,2s,3s,4r,5s)-2,3,4-trihydroxy-1-(hydroxymethyl)-6,8-dioxa-bicyclo[3.2.1]octan-5-yl)phenyl)(4-ethoxyphenyl)methanone
Systematic Name English
Code System Code Type Description
FDA UNII
AS4THB3PTC
Created by admin on Sat Dec 16 18:27:10 GMT 2023 , Edited by admin on Sat Dec 16 18:27:10 GMT 2023
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PUBCHEM
52931639
Created by admin on Sat Dec 16 18:27:10 GMT 2023 , Edited by admin on Sat Dec 16 18:27:10 GMT 2023
PRIMARY