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(1S,2R,3S,4S,6R,7R,8R,14R)-3-Hydroxy-2,4,7,14-tetramethyl-9-oxo-4-vinyltricyclo[5.4.3.0~1,8~]tetradec-6-yl {[2-methyl-1-(D-valylamino)-2-propanyl]sulfanyl}acetate hydrochloride (1:1)(CAS: 133868-46-9)

(1S,2R,3S,4S,6R,7R,8R,14R)-3-Hydroxy-2,4,7,14-tetramethyl-9-oxo-4-vinyltricyclo[5.4.3.0~1,8~]tetradec-6-yl {[2-methyl-1-(D-valylamino)-2-propanyl]sulfanyl}acetate hydrochloride (1:1)
CAS Number

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Basic Information

Molecular Formula
C31H53ClN2O5S
Molecular Weight
601.29 g/mol
Physical State
Powder

Chemical Identifiers

SMILES
C=C[C@]1(C)C[C@@H](OC(=O)CSC(CNC(=O)[C@@H](C(C)C)N)(C)C)C2(C)[C@H](C)CCC3([C@H]([C@@H]1O)C)[C@H]2C(=O)CC3.Cl
InChIKey
MFBPRQKHDIVLOJ-AFFLPQGKSA-N

Database References

MDL Number
MFCD08458958

FAQ

This compound is a complex organic molecule with a tricyclic structure, featuring multiple chiral centers and functional groups such as hydroxyl, ketone, vinyl, and sulfanyl. It is a hydrochloride salt of a sulfanyl-substituted acetate derivative, commonly used in pharmaceutical research. Its chemical formula is C24H43NO7S, with molecular weight approximately 445.65 g/mol. The compound exhibits specific stereochemical configurations (1S,2R,3S,4S,6R,7R,8R,14R) and is known for its stability under controlled conditions.
This compound is primarily used as a pharmaceutical intermediate in the synthesis of antibiotics and other bioactive molecules. It also serves in research for studying enzyme mechanisms and as a reagent in organic chemistry. Its unique structure makes it valuable for drug development targeting specific metabolic pathways. Applications include medicinal chemistry, biochemical assays, and industrial chemical synthesis.
Safety data for this compound is limited, but as a chemical with potential irritant properties, it requires standard handling precautions. Use gloves, goggles, and ensure proper ventilation when working with it. It is classified as a hazardous substance under IUPAC guidelines, necessitating adherence to safety protocols for storage and disposal. Always follow OSHA and EPA regulations for exposure control.
Store this compound in a cool, dry place (2-8°C), away from light and moisture. Use airtight, sealed containers made of glass or inert plastic to maintain stability. Avoid exposure to incompatible substances like strong oxidizers. Keep it in a well-ventilated area and label containers clearly to ensure safe handling and prevent contamination.

Safety Notice

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

Always follow proper handling procedures

Contact Information

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