ChemicalBook--->CAS DataBase List--->20168-88-1

20168-88-1

20168-88-1 Structure

20168-88-1 Structure
IdentificationBack Directory
[Name]

6-demethylgriseofulvin
[CAS]

20168-88-1
[Synonyms]

6-demethylgriseofulvin
Griseofulvin Impurity 1
6-Desmethylgriseofulvin
6-O-DeMethyl Griseofulvin
Griseofulvin 6-O-Demethyl Impurity
(2S,6'R)-7-Chloro-6-hydroxy-2',4-dimethoxy-6'-methylspiro[benzofuran-2(3H),1'-[2]cyclohexene]-3,4'-dione
(1'S,6'R)-7-Chloro-6-hydroxy-2',6-diMethoxy-6'-Methylspiro[benzofuran-2(3H),1'-[2]cyclohexene]-3,4'-dione
(1'S-trans)- 7-Chloro-6-hydroxy-2',6-diMethoxy-6'-Methylspiro [benzofuran-2(3H),1'-[2]cyclohexene]-3,4'-dione
Spiro[benzofuran-2(3H),1'-[2]cyclohexene]-3,4'-dione, 7-chloro-6-hydroxy-2',4-dimethoxy-6'-methyl-, (1'S,6'R)-
[Molecular Formula]

C16H15ClO6
[MDL Number]

MFCD28898511
[MOL File]

20168-88-1.mol
[Molecular Weight]

338.74
Chemical PropertiesBack Directory
[Melting point ]

>260°C (dec.)
[Boiling point ]

600.8±55.0 °C(Predicted)
[density ]

1.47±0.1 g/cm3(Predicted)
[storage temp. ]

Hygroscopic, -20°C Freezer, Under inert atmosphere
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

5.31±0.60(Predicted)
[color ]

Off-White to Pale Red
[InChI]

InChI=1S/C16H15ClO6/c1-7-4-8(18)5-11(22-3)16(7)15(20)12-10(21-2)6-9(19)13(17)14(12)23-16/h5-7,19H,4H2,1-3H3
[InChIKey]

SYNGDIBHUPXIQA-UHFFFAOYSA-N
[SMILES]

O1C2=C(Cl)C(O)=CC(OC)=C2C(=O)C21C(C)CC(=O)C=C2OC
Safety DataBack Directory
[Symbol(GHS) ]

Health Hazard (GHS08)
GHS08
[Signal word ]

Danger
Hazard InformationBack Directory
[Uses]

A metabolite of Griseofulvin (G787500).
[storage]

-20°C
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