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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H21NO6
Molecular Weight 311.3303
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-HYDROXY-5-((1R)-1-HYDROXY-2-((6-HYDROXY-6-OXO-HEXYL)AMINO)ETHYL)BENZOIC ACID

SMILES

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

InChI

InChIKey=ULHPJHLXMWVXDS-ZDUSSCGKSA-N
InChI=1S/C15H21NO6/c17-12-6-5-10(8-11(12)15(21)22)13(18)9-16-7-3-1-2-4-14(19)20/h5-6,8,13,16-18H,1-4,7,9H2,(H,19,20)(H,21,22)/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H21NO6
Molecular Weight 311.3303
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 Wed Apr 02 08:13:29 GMT 2025
Edited
by admin
on Wed Apr 02 08:13:29 GMT 2025
Record UNII
J3JD7T4TYD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VILANTEROL METABOLITE M7
Preferred Name English
2-HYDROXY-5-((1R)-1-HYDROXY-2-((6-HYDROXY-6-OXO-HEXYL)AMINO)ETHYL)BENZOIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
J3JD7T4TYD
Created by admin on Wed Apr 02 08:13:29 GMT 2025 , Edited by admin on Wed Apr 02 08:13:29 GMT 2025
PRIMARY
PUBCHEM
155929069
Created by admin on Wed Apr 02 08:13:29 GMT 2025 , Edited by admin on Wed Apr 02 08:13:29 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
FECAL; PLASMA; URINE