| Identification | Back Directory | [Name]
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxo-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid | [CAS]
38030-57-8 | [Synonyms]
Ro 12-4824
4-Oxo-atRA
Ro 11-4824
4-oxo-Retinoic acid
4-Ketoretinoic acid
Tretinoin Impurity 7
Retinoic acid, 4-oxo-
4-Oxo-all-trans-retinoic acid
all-trans 4-Keto Retinoic Acid
4-Oxo Tretinoin (4-Oxo Retinoic Acid)
4-Oxo Retinoic Acid (4-Oxo Tretinoin)
(E)-3,7-Dimethyl-9-(2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxo-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxocyclohex-1-enyl)nona-2,4,6,8-tetraenoic acid | [Molecular Formula]
C20H26O3 | [MDL Number]
MFCD00870472 | [MOL File]
38030-57-8.mol | [Molecular Weight]
314.42 |
| Chemical Properties | Back Directory | [Melting point ]
175-179 °C | [Boiling point ]
509.9±29.0 °C(Predicted) | [density ]
1.070±0.06 g/cm3(Predicted) | [storage temp. ]
Amber Vial, -20°C Freezer, Under Inert Atmosphere | [solubility ]
Chloroform (Slightly), Methanol (Slightly) | [form ]
Solid | [pka]
4.73±0.33(Predicted) | [color ]
Yellow to Dark Orange | [Stability:]
Store Dry in Freezer at -20°C for up to 1 year; in Solution at -20°C for up to 3 Months. | [Major Application]
clinical testing | [InChI]
InChI=1S/C20H26O3/c1-14(7-6-8-15(2)13-19(22)23)9-10-17-16(3)18(21)11-12-20(17,4)5/h6-10,13H,11-12H2,1-5H3,(H,22,23)/b8-6+,10-9+,14-7+,15-13+ | [InChIKey]
GGCUJPCCTQNTJF-FRCNGJHJSA-N | [SMILES]
C(O)(=O)/C=C(/C=C/C=C(/C=C/C1C(C)(C)CCC(=O)C=1C)\C)\C |
| Hazard Information | Back Directory | [Chemical Properties]
Orange Solid | [Uses]
A metabolite of all-trans-Retinoic Acid, a ligand for both the retinoic acid receptor (RAR) and the retinoid X receptor (RXR). | [Definition]
ChEBI: A retinoid that consists of all-trans-retinoic acid bearing an oxo substituent at position 4 on the cyclohexenyl ring. |
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