(2beta,3alpha,5alpha,16beta,17beta)-3-Acetoxy-17-hydroxy-16-(1-methyl-1-piperidiniumyl)-2-(1-piperidinyl)androstane bromide(CAS: 50587-95-6)

CAS Number
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Basic Information
Molecular Formula
C32H55BrN2O3
Molecular Weight
595.7 g/mol
Chemical Identifiers
SMILES
CC(=O)OC1CC2CCC3C(C2(CC1N4CCCCC4)C)CCC5(C3CC(C5O)[N+]6(CCCCC6)C)C.[Br-]
InChIKey
XPLMFSDSQRHLDG-FMCCZJBLSA-M
Database References
MDL Number
MFCD01700066
FAQ
This compound is a steroidal derivative with a molecular weight of approximately 646.5 g/mol. It crystallizes in a hexagonal form with a melting point around 230-235°C. The compound is poorly soluble in water but soluble in organic solvents like methanol and acetone. It is reactive towards basic conditions and susceptible to hydrolysis under acidic conditions. The compound is not volatile and does not have a strong odor.
This compound is synthesized through a multi-step process involving the functionalization of a steroidal backbone. The synthesis typically begins with the introduction of an acetoxy group followed by the installation of the piperidinium and piperidine substituents. The bromide is then introduced using a suitable brominating agent. The overall process involves the use of organic solvents and reagents, with careful control of reaction conditions to achieve high yield and selectivity.
This compound is primarily used in the pharmaceutical industry for its potential as a bioactive molecule. It may also find applications in the development of new materials, particularly in the area of sensors due to its chemical reactivity. Additionally, it could be relevant in the field of semiconductors for its unique electronic properties.
When handling this compound, it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to minimize exposure. Store the compound in a cool, dry place. Spills should be cleaned up immediately using appropriate absorbent materials. Always consult the Material Safety Data Sheet (MSDS) for detailed handling and disposal guidelines.
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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