DAPAGLIFLOZIN PROPANEDIOL ANHYDROUS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H25ClO6.C3H8O2
Molecular Weight	484.967
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DAPAGLIFLOZIN PROPANEDIOL ANHYDROUS

Structure Search

SMILES

C[C@H](O)CO.CCOC1=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=VYOCLVRXZCRBML-XMODHJQGSA-N

InChI=1S/C21H25ClO6.C3H8O2/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;1-3(5)2-4/h3-8,10,17-21,23-26H,2,9,11H2,1H3;3-5H,2H2,1H3/t17-,18-,19+,20-,21+;3-/m10/s1

HIDE SMILES / InChI

Molecular Formula	C3H8O2
Molecular Weight	76.0944
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C21H25ClO6
Molecular Weight	408.873
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 `Fri Dec 15 17:06:37 UTC 2023` Edited by `admin` on `Fri Dec 15 17:06:37 UTC 2023`
Record UNII	4AKF24FA4C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DAPAGLIFLOZIN PROPANEDIOL ANHYDROUS

Common Name

English

D-GLUCITOL, 1,5-ANHYDRO-1-C-(4-CHLORO-3-((4-ETHOXYPHENYL)METHYL)PHENYL)-, (1S)-, COMPD. WITH (2S)-1,2-PROPANEDIOL (1:1)

Common Name

English

DAPAGLIFLOZIN S-PROPYLENE GLYCOL

Common Name

English

(2S,3R,4R,5S,6R)-2-(4-CHLORO-3-(4-ETHOXYBENZYL)PHENYL)-6-(HYDROXYMETHYL)TETRAHYDRO- 2H-PYRAN-3,4,5-TRIOL, (2S)-PROPANE-1,2-DIOL (1:1)

Common Name

English

Code System Code Type Description

FDA UNII

4AKF24FA4C