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(4S,4aS,5aR,12aS)-4,7-Bis(dimethylamino)-9-{[(2,2-dimethylpropyl)amino]methyl}-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide 4-methylbenzenesulfonate (1:1)(CAS: 1075240-43-5)

(4S,4aS,5aR,12aS)-4,7-Bis(dimethylamino)-9-{[(2,2-dimethylpropyl)amino]methyl}-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide 4-methylbenzenesulfonate (1:1)
CAS Number

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Basic Information

Molecular Formula
C36H48N4O10S
Molecular Weight
728.87 g/mol

Chemical Identifiers

SMILES
Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)CNCc1cc(c2c(c1O)C(=O)C3=C([C@]4([C@@H](C[C@@H]3C2)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)N(C)C
InChIKey
SETFNHZTVGTBHC-XGLFQKEBSA-N

Database References

MDL Number
MFCD28167752

FAQ

This compound is a crystalline solid with a high molecular weight and low solubility in water. It is reactive towards nucleophiles and can form complexes with various metal ions. It has good stability under neutral to slightly acidic conditions but should be handled with care in basic environments. Its reactivity and solubility properties make it useful in organic synthesis and catalysis.
The compound is synthesized via multistep reactions involving condensation, amidation, and sulfonate esterification. Commonly used catalysts include metal complexes and organic bases. The yield and selectivity are high, typically over 90%, and the process involves careful control of reaction conditions to achieve optimal results.
This compound finds applications in pharmaceuticals, particularly in the development of new drug candidates, and in organic synthesis for the preparation of functionalized tetracene derivatives. It is also used in the fabrication of organic semiconductors and in the development of advanced sensors due to its unique electronic properties.
When handling this compound, it is essential to use appropriate personal protective equipment (PPE), including gloves, goggles, and lab coats. Work should be carried out in a well-ventilated fume hood to avoid inhalation of volatile components. Spills should be cleaned up with caution, using appropriate absorbents, and disposing of waste according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

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