13-cis Acitretin
Product Code
TRC-A189925
CAS Number
Product Format
Neat
Molecular Formula
C21 H26 O3
Molecular Weight
326.43
Product Categories
Product Type
MetaboliteDocumentation
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Product Information
Chemical Data
Analyte Name
13-cis Acitretin
CAS Number
69427-46-9
Molecular Formula
C21 H26 O3
Molecular Weight
326.43
Accurate Mass
326.1882
SMILES
COc1cc(C)c(\C=C\C(=C\C=C\C(=C/C(=O)O)\C)\C)c(C)c1C
InChI
InChI=1S/C21H26O3/c1-14(8-7-9-15(2)12-21(22)23)10-11-19-16(3)13-20(24-6)18(5)17(19)4/h7-13H,1-6H3,(H,22,23)/b9-7+,11-10+,14-8+,15-12-
IUPAC
(2Z,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
Product Data
Storage Temperature
-86°C
Shipping Temperature
Blue Ice
Country of Origin
CANADA
Product Type
Metabolite
Product Format
Neat
API Family
Product Description
A synthetic retinoid which is the major metabolite of etretinate (E938000).
References: Sato, T., et al.: J. Med. Chem., 51, 7705 (2008), Liu, X., et al.: Cancer Chemother. Pharmacol., 63, 167 (2008),