3'-EPI EMPAGLIFLOZIN

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-VUOLKEHKSA-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+/m1/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 `Sat Dec 16 18:43:32 UTC 2023` Edited by `admin` on `Sat Dec 16 18:43:32 UTC 2023`
Record UNII	RU69F6Q4ZE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3'-EPI EMPAGLIFLOZIN

Common Name

English

D-GLUCITOL, 1,5-ANHYDRO-1-C-(4-CHLORO-3-((4-(((3R)-TETRAHYDRO-3-FURANYL)OXY)PHENYL)METHYL)PHENYL)-, (1S)-

Common Name

English

EMPAGLIFLOZIN (R)-ISOMER

Common Name

English

EMPAGLIFLOZIN IMPURITY C

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID701113221

Created by admin on Sat Dec 16 18:43:32 UTC 2023 , Edited by admin on Sat Dec 16 18:43:32 UTC 2023

PRIMARY

FDA UNII

RU69F6Q4ZE

Created by admin on Sat Dec 16 18:43:32 UTC 2023 , Edited by admin on Sat Dec 16 18:43:32 UTC 2023

PRIMARY

PUBCHEM

11949687

Created by admin on Sat Dec 16 18:43:32 UTC 2023 , Edited by admin on Sat Dec 16 18:43:32 UTC 2023

PRIMARY

CAS

864070-43-9

Created by admin on Sat Dec 16 18:43:32 UTC 2023 , Edited by admin on Sat Dec 16 18:43:32 UTC 2023

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Related Record Type Details


					HDC1R2M35U

EMPAGLIFLOZIN

PARENT -> IMPURITY

Amount: