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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H23NO5
Molecular Weight 297.3468
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-(((2R)-2-HYDROXY-2-(4-HYDROXY-3-(HYDROXYMETHYL)PHENYL)ETHYL)AMINO)HEXANOIC ACID

SMILES

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

InChI

InChIKey=JEHDZGWAWAECKU-AWEZNQCLSA-N
InChI=1S/C15H23NO5/c17-10-12-8-11(5-6-13(12)18)14(19)9-16-7-3-1-2-4-15(20)21/h5-6,8,14,16-19H,1-4,7,9-10H2,(H,20,21)/t14-/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
VILANTEROL METABOLITE M30
Preferred Name English
6-(((2R)-2-HYDROXY-2-(4-HYDROXY-3-(HYDROXYMETHYL)PHENYL)ETHYL)AMINO)HEXANOIC ACID
Systematic Name English
HEXANOIC ACID, 6-(((2R)-2-HYDROXY-2-(4-HYDROXY-3-(HYDROXYMETHYL)PHENYL)ETHYL)AMINO)-
Systematic Name English
Code System Code Type Description
CAS
1463889-86-2
Created by admin on Wed Apr 02 06:59:28 GMT 2025 , Edited by admin on Wed Apr 02 06:59:28 GMT 2025
PRIMARY
FDA UNII
ZGK07KLM1Y
Created by admin on Wed Apr 02 06:59:28 GMT 2025 , Edited by admin on Wed Apr 02 06:59:28 GMT 2025
PRIMARY
PUBCHEM
101649722
Created by admin on Wed Apr 02 06:59:28 GMT 2025 , Edited by admin on Wed Apr 02 06:59:28 GMT 2025
PRIMARY
PARENT (METABOLITE)
Structure of VILANTEROL
NIH
NCATS
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