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81444-57-7

81444-57-7 Structure

81444-57-7 Structure
IdentificationBack Directory
[Name]

5,6-Epoxy-13-cis Retinoic Acid
[CAS]

81444-57-7
[Synonyms]

Isotretinoin EP impurity G
13 cis 5,6 epoxy retinoic acid
5,6-Epoxy-13-cis Retinoic Acid
13-cis-5,6-Epoxy-5,6-dihydroretinoic Acid
Isotretinoin Impurity 6(Isotretinoin EP Impurity G)
Isotretinoin EP Impurity G (5,6-Epoxy-13-cis Retinoic Acid)
(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)nona-2,4,6,8-tetraenoic acid
[Molecular Formula]

C20H28O3
[MDL Number]

MFCD28899119
[MOL File]

81444-57-7.mol
[Molecular Weight]

316.43
Chemical PropertiesBack Directory
[Melting point ]

176-178°C
[Boiling point ]

455.3±18.0 °C(Predicted)
[density ]

1.101±0.06 g/cm3(Predicted)
[storage temp. ]

Amber Vial, -20°C Freezer, Under Inert Atmosphere
[solubility ]

Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

4.78±0.33(Predicted)
[color ]

Pale Yellow to Yellow
[Stability:]

Light Sensitive
[InChI]

InChI=1S/C20H28O3/c1-15(8-6-9-16(2)14-17(21)22)10-13-20-18(3,4)11-7-12-19(20,5)23-20/h6,8-10,13-14H,7,11-12H2,1-5H3,(H,21,22)/b9-6+,13-10+,15-8+,16-14-
[InChIKey]

KEEHJLBAOLGBJZ-NJZIYGCESA-N
[SMILES]

C(O)(=O)/C=C(\C=C\C=C(\C=C\C12OC1(CCCC2(C)C)C)/C)/C
Hazard InformationBack Directory
[Chemical Properties]

Yellow Solid
[Uses]

A metabolite of 13-cis-Retinoic Acid (R250000).
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