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 RACEMIC
Molecular Formula C24H28O3
Molecular Weight 364.4773
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-HYDROXY-BEXAROTENE

SMILES

CC1=C(C=C2C(=C1)C(C)(C)C(O)CC2(C)C)C(=C)C3=CC=C(C=C3)C(O)=O

InChI

InChIKey=WTWGVKDCAJSUBZ-UHFFFAOYSA-N
InChI=1S/C24H28O3/c1-14-11-20-19(23(3,4)13-21(25)24(20,5)6)12-18(14)15(2)16-7-9-17(10-8-16)22(26)27/h7-12,21,25H,2,13H2,1,3-6H3,(H,26,27)

HIDE SMILES / InChI

Molecular Formula C24H28O3
Molecular Weight 364.4773
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 09:08:46 GMT 2025
Edited
by admin
on Wed Apr 02 09:08:46 GMT 2025
Record UNII
X522KMW8UA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-HYDROXY-BEXAROTENE
Common Name English
4-(1-(5,6,7,8-TETRAHYDRO-6-HYDROXY-3,5,5,8,8-PENTAMETHYL-2-NAPHTHALENYL)ETHENYL)BENZOIC ACID
Preferred Name English
BENZOIC ACID, 4-(1-(5,6,7,8-TETRAHYDRO-6-HYDROXY-3,5,5,8,8-PENTAMETHYL-2-NAPHTHALENYL)ETHENYL)-
Systematic Name English
Code System Code Type Description
CAS
368451-07-4
Created by admin on Wed Apr 02 09:08:46 GMT 2025 , Edited by admin on Wed Apr 02 09:08:46 GMT 2025
PRIMARY
FDA UNII
X522KMW8UA
Created by admin on Wed Apr 02 09:08:46 GMT 2025 , Edited by admin on Wed Apr 02 09:08:46 GMT 2025
PRIMARY
PUBCHEM
10067357
Created by admin on Wed Apr 02 09:08:46 GMT 2025 , Edited by admin on Wed Apr 02 09:08:46 GMT 2025
PRIMARY
EPA CompTox
DTXSID40435130
Created by admin on Wed Apr 02 09:08:46 GMT 2025 , Edited by admin on Wed Apr 02 09:08:46 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MAJOR
PLASMA