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64092-48-4

64092-48-4 structural image
Product Name: ZOMEPIRAC SODIUM SALT
Formula: C15H13ClNNaO3
Synonyms: 5-(p-Chlorobenzoyl)-1,4-dimethylpyrrole-2-acetic acid sodium-potassium salt
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CHEMICAL AND PHYSICAL PROPERTIES

Collision Cross Section 164.6 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H300:Acute toxicity,oral
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.

COMPUTED DESCRIPTORS

Molecular Weight 313.71 g/mol
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 313.0481653 g/mol
Monoisotopic Mass 313.0481653 g/mol
Topological Polar Surface Area 62.1 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 385
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes