ChemicalBook--->CAS DataBase List--->864073-42-7

864073-42-7

864073-42-7 Structure

864073-42-7 Structure
IdentificationBack Directory
[Name]

12-AMino Minocycline
[CAS]

864073-42-7
[Synonyms]

12-AMino Minocycline
Minocycline Impurity E
12-Imino Delta Minocycline
12-Amino Minocycline (~90%)
Minocycline Impurity E (Mixture of Diastereomers)
(4S,4aS,5aR,12aS)-12-AMino-4,7-bis(diMethylaMino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12a-trihydroxy-1,11-dioxo-2-naphthacenecarboxaMide
2-Naphthacenecarboxamide, 12-amino-4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12a-trihydroxy-1,11-dioxo-, (4S,4aS,5aR,12aS)-
Minocycline EP Impurity E/Imino Delta Minocycline/12-Amino Minocycline/(4S,4aS,5aR,12aS)-4,7-bis(dimethylamino)-3,10,12a-trihydroxy-12-imino-1,11-dioxo-1,4,4a,5,5a,6,11,11a,12,12a-decahydrotetracene-2-carboxamide
[Molecular Formula]

C23H28N4O6
[MDL Number]

MFCD28138180
[MOL File]

864073-42-7.mol
[Molecular Weight]

456.49
Chemical PropertiesBack Directory
[Melting point ]

>105°C (dec.)
[Boiling point ]

794.5±60.0 °C(Predicted)
[density ]

1.51±0.1 g/cm3(Predicted)
[storage temp. ]

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

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

Solid
[pka]

4.50±1.00(Predicted)
[color ]

Yellow to Dark Orange
[Stability:]

Light Sensitive
[InChIKey]

MTKKGPNRTNKQIP-KVUCHLLUSA-N
[SMILES]

C1(=O)[C@]2(O)[C@@]([H])(C[C@@]3([H])C(=C2N)C(=O)C2=C(C(N(C)C)=CC=C2O)C3)[C@H](N(C)C)C(O)=C1C(N)=O
Hazard InformationBack Directory
[Uses]

12-AMino Minocycline is an impurity of Minocycline (M344800),it is used in the preparation of calpain inhibitors.
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