Product Code

TRC-A189925

CAS Number

69427-46-9

Product Format

Neat

Molecular Formula

C21 H26 O3

Molecular Weight

326.43

API Family

Etretinate, Acitretin

Product Categories

TRC, Vitamins and derivatives, Impurity Reference Materials

Product Type

Impurity, Metabolite

Price and availability

48-hour USA dispatch time

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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

Etretinate; Acitretin

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),

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13-cis Acitretin

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