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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

Molecular Formula C15H23NO5
Molecular Weight 297.3468
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:59:17 UTC 2023
Edited
by admin
on Sat Dec 16 15:59:17 UTC 2023
Record UNII
ZGK07KLM1Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-(((2R)-2-HYDROXY-2-(4-HYDROXY-3-(HYDROXYMETHYL)PHENYL)ETHYL)AMINO)HEXANOIC ACID
Systematic Name English
VILANTEROL METABOLITE M30
Common 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 Sat Dec 16 15:59:17 UTC 2023 , Edited by admin on Sat Dec 16 15:59:17 UTC 2023
PRIMARY
FDA UNII
ZGK07KLM1Y
Created by admin on Sat Dec 16 15:59:17 UTC 2023 , Edited by admin on Sat Dec 16 15:59:17 UTC 2023
PRIMARY
PUBCHEM
101649722
Created by admin on Sat Dec 16 15:59:17 UTC 2023 , Edited by admin on Sat Dec 16 15:59:17 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
FECAL; PLASMA; URINE