U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry MIXED
Molecular Formula C25H37NO5
Molecular Weight 431.565
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .ALPHA.-HYDROXYSALMETEROL

SMILES

OCC1=C(O)C=CC(=C1)C(O)CNCCCCCCOCCCC(O)C2=CC=CC=C2

InChI

InChIKey=PGRMEHUQIPZHKM-UHFFFAOYSA-N
InChI=1S/C25H37NO5/c27-19-22-17-21(12-13-24(22)29)25(30)18-26-14-6-1-2-7-15-31-16-8-11-23(28)20-9-4-3-5-10-20/h3-5,9-10,12-13,17,23,25-30H,1-2,6-8,11,14-16,18-19H2

HIDE SMILES / InChI

Molecular Formula C25H37NO5
Molecular Weight 431.565
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 12:03:20 GMT 2025
Edited
by admin
on Wed Apr 02 12:03:20 GMT 2025
Record UNII
VN3K2MKQ9C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3-BENZENEDIMETHANOL, 4-HYDROXY-.ALPHA.1-(((6-(4-HYDROXY-4-PHENYLBUTOXY)HEXYL)AMINO)METHYL)-
Preferred Name English
.ALPHA.-HYDROXYSALMETEROL
Common Name English
Code System Code Type Description
FDA UNII
VN3K2MKQ9C
Created by admin on Wed Apr 02 12:03:20 GMT 2025 , Edited by admin on Wed Apr 02 12:03:20 GMT 2025
PRIMARY
EPA CompTox
DTXSID00934492
Created by admin on Wed Apr 02 12:03:20 GMT 2025 , Edited by admin on Wed Apr 02 12:03:20 GMT 2025
PRIMARY
CAS
152405-02-2
Created by admin on Wed Apr 02 12:03:20 GMT 2025 , Edited by admin on Wed Apr 02 12:03:20 GMT 2025
PRIMARY
PUBCHEM
197627
Created by admin on Wed Apr 02 12:03:20 GMT 2025 , Edited by admin on Wed Apr 02 12:03:20 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE