(2S,3S,4S,5R)-6-((2S,3S,4R,5R,6R)-2-(4-CHLORO-3-((4-((3S)-TETRAHYDROFURAN-3-YL)OXYPHENYL)METHYL)PHENYL)-3,5-DIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDROPYRAN-4-YL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H35ClO13
Molecular Weight	627.033
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2S,3S,4S,5R)-6-((2S,3S,4R,5R,6R)-2-(4-CHLORO-3-((4-((3S)-TETRAHYDROFURAN-3-YL)OXYPHENYL)METHYL)PHENYL)-3,5-DIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDROPYRAN-4-YL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Structure Search

SMILES

[H][C@@]5(O[C@H]1[C@H](O)[C@@H](CO)O[C@H]([C@@H]1O)C2=CC(CC3=CC=C(O[C@H]4CCOC4)C=C3)=C(Cl)C=C2)O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O

InChI

InChIKey=BQXKIDMRXJXROR-MFDKXCQCSA-N

InChI=1S/C29H35ClO13/c30-18-6-3-14(10-15(18)9-13-1-4-16(5-2-13)40-17-7-8-39-12-17)25-24(36)26(20(32)19(11-31)41-25)42-29-23(35)21(33)22(34)27(43-29)28(37)38/h1-6,10,17,19-27,29,31-36H,7-9,11-12H2,(H,37,38)/t17-,19+,20+,21-,22-,23+,24-,25-,26-,27-,29+/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

(2S,3S,4S,5R)-6-((2S,3S,4R,5R,6R)-2-(4-CHLORO-3-((4-((3S)-TETRAHYDROFURAN-3-YL)OXYPHENYL)METHYL)PHENYL)-3,5-DIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDROPYRAN-4-YL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Systematic Name

English

EMPAGLIFLOZIN METABOLITE M626/3

Common Name

English

CD00006136

Common Name

English

Code System Code Type Description

FDA UNII

2Y9V2N2EPY

Created by admin on Sat Dec 16 14:52:47 GMT 2023 , Edited by admin on Sat Dec 16 14:52:47 GMT 2023