Dapagliflozin, (1RS)-

Details

Stereochemistry	EPIMERIC
Molecular Formula	C21H25ClO6
Molecular Weight	408.873
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCOC1=CC=C(CC2=CC(=CC=C2Cl)C3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C1

InChI

InChIKey=JVHXJTBJCFBINQ-AWGDKMGJSA-N

InChI=1S/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21?/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H25ClO6
Molecular Weight	408.873
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	4 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 18:41:19 GMT 2025` Edited by `admin` on `Wed Apr 02 18:41:19 GMT 2025`
Record UNII	8NN22ZNT45
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(3R,4R,5S,6R)-2-(4-chloro-3-(4-ethoxybenzyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

Preferred Name

English

Dapagliflozin, (1RS)-

Common Name

English

1,5-Anhydro-1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-D-glucitol

Systematic Name

English

D-Glucitol, 1,5-anhydro-1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-

Systematic Name

English

Code System Code Type Description

PUBCHEM

56841156

Created by admin on Wed Apr 02 18:41:19 GMT 2025 , Edited by admin on Wed Apr 02 18:41:19 GMT 2025

PRIMARY

FDA UNII

8NN22ZNT45

Created by admin on Wed Apr 02 18:41:19 GMT 2025 , Edited by admin on Wed Apr 02 18:41:19 GMT 2025

PRIMARY

CAS

1118566-45-2

Created by admin on Wed Apr 02 18:41:19 GMT 2025 , Edited by admin on Wed Apr 02 18:41:19 GMT 2025

PRIMARY

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