U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H33Cl2NO5
Molecular Weight 486.429
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ?<SUP>1</SUP>-[[[6-[2-[(2,6-Dichlorophenyl)methoxy]ethoxy]hexyl]amino]methyl]-4-hydroxy-1,3-benzenedimethanol, (?<SUP>1</SUP>S)-

SMILES

OCC1=CC(=CC=C1O)[C@H](O)CNCCCCCCOCCOCC2=C(Cl)C=CC=C2Cl

InChI

InChIKey=DAFYYTQWSAWIGS-XMMPIXPASA-N
InChI=1S/C24H33Cl2NO5/c25-21-6-5-7-22(26)20(21)17-32-13-12-31-11-4-2-1-3-10-27-15-24(30)18-8-9-23(29)19(14-18)16-28/h5-9,14,24,27-30H,1-4,10-13,15-17H2/t24-/m1/s1

HIDE SMILES / InChI

Molecular Formula C24H33Cl2NO5
Molecular Weight 486.429
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 19:24:13 GMT 2025
Edited
by admin
on Wed Apr 02 19:24:13 GMT 2025
Record UNII
4SSC2DS9AQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(?<SUP>1</SUP>S)-?<SUP>1</SUP>-[[[6-[2-[(2,6-Dichlorophenyl)methoxy]ethoxy]hexyl]amino]methyl]-4-hydroxy-1,3-benzenedimethanol
Preferred Name English
?<SUP>1</SUP>-[[[6-[2-[(2,6-Dichlorophenyl)methoxy]ethoxy]hexyl]amino]methyl]-4-hydroxy-1,3-benzenedimethanol, (?<SUP>1</SUP>S)-
Systematic Name English
4-[(1S)-2-[6-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]hexylamino]-1-hydroxyethyl]-2-(hydroxymethyl)phenol
Systematic Name English
1,3-Benzenedimethanol, ?<SUP>1</SUP>-[[[6-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]hexyl]amino]methyl]-4-hydroxy-, (?<SUP>1</SUP>S)-
Systematic Name English
Code System Code Type Description
CAS
2514963-34-7
Created by admin on Wed Apr 02 19:24:13 GMT 2025 , Edited by admin on Wed Apr 02 19:24:13 GMT 2025
PRIMARY
PUBCHEM
53242017
Created by admin on Wed Apr 02 19:24:13 GMT 2025 , Edited by admin on Wed Apr 02 19:24:13 GMT 2025
PRIMARY
FDA UNII
4SSC2DS9AQ
Created by admin on Wed Apr 02 19:24:13 GMT 2025 , Edited by admin on Wed Apr 02 19:24:13 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> ENANTIOMER