(2S,3R,4R,5S,6R)-2-(4-CHLORO-3-((4-((1S)-3-HYDROXY-1-(HYDROXYMETHYL)PROPOXY)PHENYL)METHYL)PHENYL)-6-(HYDROXYMETHYL)TETRAHYDROPYRAN-3,4,5-TRIOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H29ClO8
Molecular Weight	468.925
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2S,3R,4R,5S,6R)-2-(4-CHLORO-3-((4-((1S)-3-HYDROXY-1-(HYDROXYMETHYL)PROPOXY)PHENYL)METHYL)PHENYL)-6-(HYDROXYMETHYL)TETRAHYDROPYRAN-3,4,5-TRIOL

Structure Search

SMILES

OCC[C@@H](CO)OC1=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=ZPUZKVKGWCMSOZ-QZMOQZSNSA-N

InChI=1S/C23H29ClO8/c24-18-6-3-14(23-22(30)21(29)20(28)19(12-27)32-23)10-15(18)9-13-1-4-16(5-2-13)31-17(11-26)7-8-25/h1-6,10,17,19-23,25-30H,7-9,11-12H2/t17-,19+,20+,21-,22+,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H29ClO8
Molecular Weight	468.925
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 `Sat Dec 16 19:00:22 UTC 2023` Edited by `admin` on `Sat Dec 16 19:00:22 UTC 2023`
Record UNII	VPF7YG4E9B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(2S,3R,4R,5S,6R)-2-(4-CHLORO-3-((4-((1S)-3-HYDROXY-1-(HYDROXYMETHYL)PROPOXY)PHENYL)METHYL)PHENYL)-6-(HYDROXYMETHYL)TETRAHYDROPYRAN-3,4,5-TRIOL

Systematic Name

English

EMPAGLIFLOZIN METABOLITE M468/1

Common Name

English

Code System Code Type Description

PUBCHEM

155928798

Created by admin on Sat Dec 16 19:00:22 UTC 2023 , Edited by admin on Sat Dec 16 19:00:22 UTC 2023

PRIMARY

FDA UNII

VPF7YG4E9B

Created by admin on Sat Dec 16 19:00:22 UTC 2023 , Edited by admin on Sat Dec 16 19:00:22 UTC 2023

PRIMARY

CAS

1938058-43-5

Created by admin on Sat Dec 16 19:00:22 UTC 2023 , Edited by admin on Sat Dec 16 19:00:22 UTC 2023

PRIMARY

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EMPAGLIFLOZIN

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