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

Details

Stereochemistry ACHIRAL
Molecular Formula C20H26O3
Molecular Weight 314.4194
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 4
Charge 0

SHOW SMILES / InChI
Structure of 4-OXOISOTRETINOIN

SMILES

C/C(=C(/[H])\C(\[H])=C(/[H])\C(=C(\[H])/C(=O)O)\C)/C(/[H])=C(\[H])/C1=C(C)C(=O)CCC1(C)C

InChI

InChIKey=GGCUJPCCTQNTJF-FAOQNJJDSA-N
InChI=1S/C20H26O3/c1-14(7-6-8-15(2)13-19(22)23)9-10-17-16(3)18(21)11-12-20(17,4)5/h6-10,13H,11-12H2,1-5H3,(H,22,23)/b8-6+,10-9+,14-7+,15-13-

HIDE SMILES / InChI

Molecular Formula C20H26O3
Molecular Weight 314.4194
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 4
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 12:49:30 UTC 2021
Edited
by admin
on Sat Jun 26 12:49:30 UTC 2021
Record UNII
6OSQ6Z89RP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-OXOISOTRETINOIN
Common Name English
4-OXO-13-CIS-RETINOIC ACID
Common Name English
13-CIS-4-OXORETINOIC ACID
Common Name English
OXO-13-CIS-RETINOIC ACID, 4-
Common Name English
RO-22-6595
Code English
Code System Code Type Description
FDA UNII
6OSQ6Z89RP
Created by admin on Sat Jun 26 12:49:30 UTC 2021 , Edited by admin on Sat Jun 26 12:49:30 UTC 2021
PRIMARY
CAS
71748-58-8
Created by admin on Sat Jun 26 12:49:30 UTC 2021 , Edited by admin on Sat Jun 26 12:49:30 UTC 2021
PRIMARY
PUBCHEM
6437087
Created by admin on Sat Jun 26 12:49:30 UTC 2021 , Edited by admin on Sat Jun 26 12:49:30 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MAJOR
PLASMA
PARENT -> METABOLITE
MAJOR
PLASMA