Empagliflozin ?-anomer

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H27ClO7
Molecular Weight	450.909
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC[C@H]1O[C@@H]([C@H](O)[C@@H](O)[C@@H]1O)C2=CC=C(Cl)C(CC3=CC=C(O[C@H]4CCOC4)C=C3)=C2

InChI

InChIKey=OBWASQILIWPZMG-DNNBANOASA-N

InChI=1S/C23H27ClO7/c24-18-6-3-14(23-22(28)21(27)20(26)19(11-25)31-23)10-15(18)9-13-1-4-16(5-2-13)30-17-7-8-29-12-17/h1-6,10,17,19-23,25-28H,7-9,11-12H2/t17-,19+,20+,21-,22+,23+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H27ClO7
Molecular Weight	450.909
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 13:37:47 GMT 2025` Edited by `admin` on `Wed Apr 02 13:37:47 GMT 2025`
Record UNII	2B7SR85N8B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(1R)-1,5-Anhydro-1-C-[4-chloro-3-((4-(((3S)-tetrahydro-3-furanyl)oxy)phenyl)methyl)phenyl)-D-glucitol

Preferred Name

English

Empagliflozin ?-anomer

Common Name

English

D-Glucitol, 1,5-anhydro-1-C-(4-chloro-3-((4-(((3S)-tetrahydro-3-furanyl)oxy)phenyl)methyl)phenyl)-, (1R)-

Systematic Name

English

(2R,3R,4R,5S,6R)-2-(4-CHLORO-3-(4-(((S)-TETRAHYDROFURAN-3-YL)OXY)BENZYL)PHENYL)-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-3,4,5-TRIOL

Systematic Name

English

Code System Code Type Description

PUBCHEM

91827936

Created by admin on Wed Apr 02 13:37:47 GMT 2025 , Edited by admin on Wed Apr 02 13:37:47 GMT 2025

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FDA UNII

2B7SR85N8B

Created by admin on Wed Apr 02 13:37:47 GMT 2025 , Edited by admin on Wed Apr 02 13:37:47 GMT 2025

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CAS

1620758-33-9

Created by admin on Wed Apr 02 13:37:47 GMT 2025 , Edited by admin on Wed Apr 02 13:37:47 GMT 2025

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