Peracetyl Empagliflozin

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H35ClO11
Molecular Weight	619.056
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=IVTYEGRDCQLUJE-KTUPMIEBSA-N

InChI=1S/C31H35ClO11/c1-17(33)38-16-27-29(39-18(2)34)31(41-20(4)36)30(40-19(3)35)28(43-27)22-7-10-26(32)23(14-22)13-21-5-8-24(9-6-21)42-25-11-12-37-15-25/h5-10,14,25,27-31H,11-13,15-16H2,1-4H3/t25-,27+,28-,29+,30-,31-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C31H35ClO11
Molecular Weight	619.056
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 19:52:37 GMT 2023` Edited by `admin` on `Sat Dec 16 19:52:37 GMT 2023`
Record UNII	D5AR7LVU55
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Peracetyl Empagliflozin

Common Name

English

D-Glucitol, 1,5-anhydro-1-C-[4-chloro-3-[[4-[[(3S)-tetrahydro-3-furanyl]oxy]phenyl]methyl]phenyl]-, 2,3,4,6-tetraacetate, (1S)-

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

CAS

915095-99-7

Created by admin on Sat Dec 16 19:52:37 GMT 2023 , Edited by admin on Sat Dec 16 19:52:37 GMT 2023

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PUBCHEM

59346348

Created by admin on Sat Dec 16 19:52:37 GMT 2023 , Edited by admin on Sat Dec 16 19:52:37 GMT 2023

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FDA UNII

D5AR7LVU55

Created by admin on Sat Dec 16 19:52:37 GMT 2023 , Edited by admin on Sat Dec 16 19:52:37 GMT 2023

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