Sodium {[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonyl}(propionyl)azanide | CAS No. 198470-85-8

Sodium {[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonyl}(propionyl)azanide

Basic Information

CAS Number

198470-85-8

Molecular Formula

C19H17N2NaO4S

Molecular Weight

393.42 g/mol

AD

Basic Physical Properties

Physical State

Powder

Melting Point

273-275°C

Boiling Point

538°C at 760 mmHg

CCC(=O)[N-]S(=O)(=O)C1=CC=C(C=C1)C2=C(ON=C2C3=CC=CC=C3)C.[Na+]

InChI

InChI=1S/C19H18N2O4S.Na/c1-3-17(22)21-26(23,24)16-11-9-14(10-12-16)18-13(2)25-20-19(18)15-7-5-4-6-8-15;/h4-12H,3H2,1-2H3,(H,21,22);/q;+1/p-1

InChIKey

HQPVVKXJNZEAFW-UHFFFAOYSA-M

LogP

3.1511200000000015

Topological Polar Surface Area

89.27 Ų

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

581

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • YM-978
  • Parecoxib sodium (USAN)
  • PARECOXIB SODIUM [MART.]
  • AC-25455
  • MFCD04972608
  • CHEMBL296913
  • s5418
  • Parecoxib (Sodium)
  • Tox21_113040
  • HMS2052F09
  • Propanamide, N-[[4-(5-methyl-3-phenyl-4-isoxazolyl)phenyl]sulfonyl]-, sodium salt (1:1)
  • SCHEMBL117192
  • MLS001424308
  • PARECOXIB SODIUM [WHO-DD]
  • N-[4-(5-METHYL-3-PHENYLISOXAZOL-4-YL)PHENYLSULFONYL]PROPIONAMIDE, SODIUM SALT
  • Parecoxib sodium
  • SC 69124A
  • A854885
  • Dynastat
  • PARECOXIB SODIUM SALT [MI]
  • 197502-82-2
  • CCG-101177
  • Propanamide, N-[[4-(5-methyl-3-phenyl-4-isoxazolyl)phenyl]sulfonyl]-, sodium salt (1:1); Propanamide, N-[[4-(5-methyl-3-phenyl-4-isoxazolyl)phenyl]sulfonyl]-, sodium salt (9CI); Dynastat; Parecoxib sodium; Rayzon; SC 69124A
  • Q27277097
  • Rayzon
  • Parecoxib sodium [USAN]
  • HMS3394F09
  • AM84679
  • Acetamide, 2,2,2-trichloro-N-[3-(trifluoromethyl)phenyl]-
  • sodium (4-(5-methyl-3-phenylisoxazol-4-yl)phenylsulfonyl)(propionyl)amide
  • EB87433V6F

MDL Number

MFCD04972608

FAQ

What is Sodium {[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonyl}(propionyl)azanide (CAS: 198470-85-8)?

Sodium {[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonyl}(propionyl)azanide (CAS: 198470-85-8) is a chemical compound used primarily in pharmaceutical research. It contains a sulfonyl group, a propionyl chain, and an azanide ion, making it a potential intermediate in drug development. The compound is known for its structural complexity and is classified as a sodium salt with specific functional groups that may contribute to biological activity.

What are the main uses of Sodium {[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonyl}(propionyl)azanide (CAS: 198470-85-8)?

Sodium {[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonyl}(propionyl)azanide (CAS: 198470-85-8) is mainly used in pharmaceutical research as a potential drug candidate. It may also serve as a chemical intermediate in the synthesis of various bioactive compounds. Due to its unique structure, it is of interest in the development of new therapeutic agents, particularly in medicinal chemistry applications.

Is Sodium {[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonyl}(propionyl)azanide (CAS: 198470-85-8) safe?

The safety of Sodium {[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonyl}(propionyl)azanide (CAS: 198470-85-8) is not well-documented in public sources. As with many chemical compounds, it should be handled with appropriate personal protective equipment (PPE) to minimize exposure. It is recommended to follow standard safety protocols for handling reactive and potentially hazardous chemicals in laboratory settings.

How should Sodium {[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonyl}(propionyl)azanide (CAS: 198470-85-8) be stored?

Sodium {[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonyl}(propionyl)azanide (CAS: 198470-85-8) should be stored in a cool, dry, and dark place to maintain its stability. It is advisable to keep it in a sealed container away from moisture and incompatible substances. Proper storage conditions are essential to prevent degradation and ensure the compound remains chemically stable for use in research or pharmaceutical applications.

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