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13-cis Retinoic Acid-[d5]

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General Information
Catalog: BLP-008251
Molecular Formula: C20H23D5O2
Molecular Weight: 305.47

Chemical Structure

Description	13-cis Retinoic Acid-[d5] is the labelled analogue of Isotretinoin, which is a retinoic acid derivative developed as a drug for the treatment of cystic acne. It can also be used as a chemotherapy medication for the treatment of brain cancer, pancreatic cancer and more.
Synonyms	3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2Z,4E,6E,8E-nonatetranenoic Acid-d5; Isotretinoin-d5; 13-cis-Vitamin A Acid-d5; Accutane-d5; Isotretinoin-d5; Isotrex-d5; IsotrexGel-d5; Neovitamin A Acid-d5; Ro 4-3780-d5; Roaccutane-d5; 13-cis Retinoic Acid-d5
IUPAC Name	(2Z,4E,6E,8E)-9-[3,3-dideuterio-6,6-dimethyl-2-(trideuteriomethyl)cyclohexen-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid
Related CAS	4759-48-2 (unlabelled) 78996-15-3
Canonical SMILES	CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C
InChI	InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14-/i3D3,10D2
InChI Key	SHGAZHPCJJPHSC-UTAVKCRPSA-N
Melting Point	158-160°C
Purity	≥95%; ≥95% atom D
Solubility	Slightly soluble in Chloroform, Ethyl Acetate, Methanol
Appearance	Yellow to Orange Solid
Storage	Store at -86°C under inert atmosphere