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

Details

Stereochemistry ACHIRAL
Molecular Formula C24H26O3
Molecular Weight 362.4623
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-OXO-BEXAROTENE

SMILES

Cc1cc2c(cc1C(=C)c3ccc(cc3)C(=O)O)C(C)(C)C(=O)CC2(C)C

InChI

InChIKey=XLMHAABXFLIUNQ-UHFFFAOYSA-N
InChI=1S/C24H26O3/c1-14-11-19-20(24(5,6)21(25)13-23(19,3)4)12-18(14)15(2)16-7-9-17(10-8-16)22(26)27/h7-12H,2,13H2,1,3-6H3,(H,26,27)

HIDE SMILES / InChI

Molecular Formula C24H26O3
Molecular Weight 362.4623
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 00:06:57 UTC 2021
Edited
by admin
on Sat Jun 26 00:06:57 UTC 2021
Record UNII
POY4N4NX0Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-OXO-BEXAROTENE
Common Name English
BENZOIC ACID, 4-(1-(5,6,7,8-TETRAHYDRO-3,5,5,8,8-PENTAMETHYL-7-OXO-2-NAPHTHALENYL)ETHENYL)-
Systematic Name English
4-(1-(5,6,7,8-TETRAHYDRO-3,5,5,8,8-PENTAMETHYL-7-OXO-2-NAPHTHALENYL)ETHENYL)BENZOIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
POY4N4NX0Q
Created by admin on Sat Jun 26 00:06:58 UTC 2021 , Edited by admin on Sat Jun 26 00:06:58 UTC 2021
PRIMARY
PUBCHEM
101142043
Created by admin on Sat Jun 26 00:06:58 UTC 2021 , Edited by admin on Sat Jun 26 00:06:58 UTC 2021
PRIMARY
CAS
368451-15-4
Created by admin on Sat Jun 26 00:06:58 UTC 2021 , Edited by admin on Sat Jun 26 00:06:58 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
PLASMA