Keto ertugliflozin

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 Search

SMILES

CCOC1=CC=C(C=C1)C(=O)C2=CC(=CC=C2Cl)[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

Molecular Formula	C22H23ClO8
Molecular Weight	450.866
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 11:10:17 GMT 2025` Edited by `admin` on `Wed Apr 02 11:10:17 GMT 2025`
Record UNII	AS4THB3PTC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Keto ertugliflozin

Common 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

Preferred Name

English

1,6-Anhydro-1-C-[4-chloro-3-(4-ethoxybenzoyl)phenyl]-5-C-(hydroxymethyl)-?-L-idopyranose

Systematic Name

English

?-L-Idopyranose, 1,6-anhydro-1-C-[4-chloro-3-(4-ethoxybenzoyl)phenyl]-5-C-(hydroxymethyl)-

Systematic Name

English

Code System Code Type Description

FDA UNII

AS4THB3PTC

Created by admin on Wed Apr 02 11:10:17 GMT 2025 , Edited by admin on Wed Apr 02 11:10:17 GMT 2025

PRIMARY

PUBCHEM

52931639

Created by admin on Wed Apr 02 11:10:17 GMT 2025 , Edited by admin on Wed Apr 02 11:10:17 GMT 2025

PRIMARY

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