(2S,3S,4S,5R,6S)-6-(4-((1R)-2-(6-(CARBOXYMETHYLOXY)HEXYLAMINO)-1-HYDROXY-ETHYL)-2-(HYDROXYMETHYL)PHENOXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H35NO12
Molecular Weight	517.5235
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2S,3S,4S,5R,6S)-6-(4-((1R)-2-(6-(CARBOXYMETHYLOXY)HEXYLAMINO)-1-HYDROXY-ETHYL)-2-(HYDROXYMETHYL)PHENOXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Structure Search

SMILES

OCC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=CC(=C1)[C@@H](O)CNCCCCCCOCC(O)=O

InChI

InChIKey=XQSAVMFGHYIEEK-YEKYASBRSA-N

InChI=1S/C23H35NO12/c25-11-14-9-13(15(26)10-24-7-3-1-2-4-8-34-12-17(27)28)5-6-16(14)35-23-20(31)18(29)19(30)21(36-23)22(32)33/h5-6,9,15,18-21,23-26,29-31H,1-4,7-8,10-12H2,(H,27,28)(H,32,33)/t15-,18-,19-,20+,21-,23+/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

(2S,3S,4S,5R,6S)-6-(4-((1R)-2-(6-(CARBOXYMETHYLOXY)HEXYLAMINO)-1-HYDROXY-ETHYL)-2-(HYDROXYMETHYL)PHENOXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Systematic Name

English

VILANTEROL METABOLITE M4

Common Name

English

Code System Code Type Description

FDA UNII

R338TF3NSV

Created by admin on Sat Dec 16 16:36:19 GMT 2023 , Edited by admin on Sat Dec 16 16:36:19 GMT 2023

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PUBCHEM

155928810