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

Details

Stereochemistry RACEMIC
Molecular Formula C19H26O3
Molecular Weight 302.4079
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of RO-23-3571

SMILES

CC(CC\C=C(C)\C=C\C1=C(C)C(C)=C(O)C=C1C)C(O)=O

InChI

InChIKey=RHIMNYUELYCNTF-YQDZKPHZSA-N
InChI=1S/C19H26O3/c1-12(7-6-8-13(2)19(21)22)9-10-17-14(3)11-18(20)16(5)15(17)4/h7,9-11,13,20H,6,8H2,1-5H3,(H,21,22)/b10-9+,12-7+

HIDE SMILES / InChI

Molecular Formula C19H26O3
Molecular Weight 302.4079
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 2
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:57:23 GMT 2023
Edited
by admin
on Sat Dec 16 16:57:23 GMT 2023
Record UNII
C1711R3D1U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RO-23-3571
Code English
(5E,7E)-8-(4-HYDROXY-2,3,6-TRIMETHYLPHENYL)-2,6-DIMETHYL-5,7-OCTADIENOIC ACID
Systematic Name English
RO 23-3571
Code English
ACITRETIN METABOLITE II
Common Name English
5,7-OCTADIENOIC ACID, 8-(4-HYDROXY-2,3,6-TRIMETHYLPHENYL)-2,6-DIMETHYL-, (5E,7E)-
Systematic Name English
Code System Code Type Description
FDA UNII
C1711R3D1U
Created by admin on Sat Dec 16 16:57:23 GMT 2023 , Edited by admin on Sat Dec 16 16:57:23 GMT 2023
PRIMARY
CAS
121633-15-6
Created by admin on Sat Dec 16 16:57:23 GMT 2023 , Edited by admin on Sat Dec 16 16:57:23 GMT 2023
PRIMARY
PUBCHEM
10425018
Created by admin on Sat Dec 16 16:57:23 GMT 2023 , Edited by admin on Sat Dec 16 16:57:23 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE