ChemicalBook--->CAS DataBase List--->53746-45-5

53746-45-5

53746-45-5 Structure

53746-45-5 Structure
IdentificationMore
[Name]

Fenoprofen calcium
[CAS]

53746-45-5
[Synonyms]

2-(3-PHENOXYPHENYL)PROPIONIC ACID CALCIUM SALT DIHYDRATE
[+/-]-2-[3-PHENOXYPHENYL]PROPIONIC ACID CALCIUM SALT, HYDRATE
FENEPROFEN CALCIUM SALT, DIHYDRATE
FENOPROFEN CA
FENOPROFEN CALCIUM DIHYDRATE
FENOPROFEN CALCIUM SALT
FENOPROFEN CALCIUM SALT DIHYDRATE
FENOPROFEN CALCIUM SALT HYDRATE
(+-)-alpha-methyl-3-phenoxybenzeneaceticacidcalciumsaltdihydrate
2-(3-phenoxyphenyl)-,calciumsalt,dihydrate,dl-propionicaci
alpha-methyl-3-phenoxy-,calciumsalt,dihydrate,(+-)-benzeneaceticaci
calcium2-(m-phenoxyphenyl)propionatedihydrate
fenoprofencalciumhydrate
fenopron
feprona
lilly69323
nalfonhydrate
nalgesic
progesic
ym-09229
[EINECS(EC#)]

628-664-2
[Molecular Formula]

C30H30CaO8
[MDL Number]

MFCD00242722
[Molecular Weight]

558.63
[MOL File]

53746-45-5.mol
Chemical PropertiesBack Directory
[Melting point ]

>94oC (dec.)
[storage temp. ]

Hygroscopic, -20°C Freezer, Under inert atmosphere
[solubility ]

Chloroform (Slightly, Heated, Sonicated), DMSO (Slightly)
[form ]

neat
[pka]

4.5(at 25℃)
[color ]

White to Off-White
[Stability:]

Hygroscopic
[Major Application]

forensics and toxicology
pharmaceutical (small molecule)
veterinary
[InChI]

1S/C15H14O3.Ca.H2O.2H/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13;;;;/h2-11H,1H3,(H,16,17);;1H2;;
[InChIKey]

JWCQUXFJNIIYQZ-UHFFFAOYSA-N
[SMILES]

O.[Ca].CC(C(O)=O)c1cccc(Oc2ccccc2)c1
[CAS DataBase Reference]

53746-45-5(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S36:Wear suitable protective clothing .
[WGK Germany ]

3
[RTECS ]

CY1678900
[HS Code ]

2918992090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
[Toxicity]

LD50 orally in mice: 800 mg/kg (Emmerson)
Hazard InformationBack Directory
[Uses]

Antiinflammatory;Cyclooxygenase inhibitor
[Definition]

ChEBI: The dihydrate form of the calcium salt of fenoprofen. A non-steroidal anti-inflammatory drug, it is used for the management of mild to moderate pain and for the relief of pain and inflammation associated with disorders such as arthritis. It is pharmacologi ally similar to aspirin, but causes less gastrointestinal bleeding.
[Brand name]

Nalfon (Dista); Nalfon (Pedinol).
Spectrum DetailBack Directory
[Spectrum Detail]

Fenoprofen calcium(53746-45-5)1HNMR
Fenoprofen calcium(53746-45-5)13CNMR
Fenoprofen calcium(53746-45-5)IR1
Fenoprofen calcium(53746-45-5)IR2
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

53746-45-5(sigmaaldrich)
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