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(3R)-3-Amino-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-1-butanone phosphate hydrate (1:1:1)(CAS: 654671-77-9)

(3R)-3-Amino-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-1-butanone phosphate hydrate (1:1:1)
CAS Number

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Basic Information

Molecular Formula
C16H20F6N5O6P
Molecular Weight
523.33 g/mol

Physical Properties

Boiling Point
529.9°C at 760 mmHg
Flash Point
274.3℃

Chemical Identifiers

SMILES
C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(CC3=CC(=C(C=C3F)F)F)N.O.OP(=O)(O)O
InChIKey
GQPYTJVDPQTBQC-KLQYNRQASA-N

Database References

MDL Number
MFCD18633181

FAQ

This compound, with the CAS number 654671-77-9, is a phosphate hydrate derivative of a substituted butanone. It contains a (3R) stereochemical center and features a trifluoromethyl group on the pyrazine ring. The molecule is characterized by its complex structure, which includes a triazolepyrazine framework and multiple fluorinated aromatic groups. It is typically used in specialized chemical applications due to its unique functional groups and reactivity.
This compound is primarily used in pharmaceutical research as a potential drug candidate due to its structural complexity and bioactive properties. It may also find applications in organic chemistry for synthesis purposes and in the development of agrochemicals. Its unique combination of fluorinated groups makes it valuable for studying molecular interactions and reactivity in various scientific fields.
As a research compound, (3R)-3-Amino-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-1-butanone phosphate hydrate (1:1:1) (CAS: 654671-77-9) is generally considered safe when handled properly. However, it should be treated with care, as it may have potential irritant properties. Protective gloves, goggles, and ventilation are recommended during use to ensure safety in laboratory settings.
This compound should be stored in a cool, dry, and dark place, ideally at 2-8°C. It is sensitive to moisture and light, so it should be kept in a sealed container with desiccant. Avoid exposure to air and ensure storage in a well-ventilated area to maintain stability and prevent degradation.

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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