Basic information
- CAS
53746-45-5- Standard SMILES
CC(C(=O)[O-])c1cccc(Oc2ccccc2)c1.CC(C(=O)[O-])c1cccc(Oc2ccccc2)c1.O.O.[Ca+2]- InChIKey
LZPBLUATTGKZBH-UHFFFAOYSA-L- Molecular formula
- C30H30CaO8
- Average molar mass
- 558.6 g/mol
- Monoisotopic mass
- 558.1566588
Overview
Fenoprofen calcium is 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 pharmacologically similar to aspirin, but causes less gastrointestinal bleeding. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic, an antipyretic, a cyclooxygenase 2 inhibitor and a cyclooxygenase 1 inhibitor. It contains a fenoprofen calcium (anhydrous).
Names & identifiers
- Preferred name
- Fenoprofen Calcium
- IUPAC
- calcium;bis(2-(3-phenoxyphenyl)propanoate);dihydrate
- English name
- Fenoprofen calcium salt hydrate
- Molecular formula
- C30H30CaO8
- Molecular weight
- 558.63
Names & synonyms
Fenoprofen calcium dihydrateFenoprofen calcium53746-45-5NalgesicFenopronFepronaFepronCalcium 2-(m-phenoxyphenyl)propionate dihydrate0X2CW1QABJFENOPRON TM(+-)-alpha-Methyl-3-phenoxybenzeneacetic acid calcium salt dihydrateCHEBI:5005
Show more names
progesicym-09229lilly69323FENOPROFEN CAnalfonhydrateSOME:0X2CW1QABJ
DTXSID80904653RefChem:56501DTXCID501333770260-133-771720-56-4Fenoprofen calcium hydrateFenoprofen calcium salt dihydratecalcium 2-(3-phenoxyphenyl)propanoate dihydrate
Database identifiers
- CAS
53746-45-5、71720-56-4- PubChem CID
- 64747
- DTXSID
DTXSID6045587- ChEMBL
CHEMBL2103736- ChEBI
CHEBI:5005- UNII
- 0X2CW1QABJ
Properties
Computed structural properties
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 265
Experimental & physicochemical properties
Human Drugs
Breast Feeding; Lactation; Milk, Human; Analgesic Agents; Anti-inflammatory Agents, Nonsteroidal
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Physicochemical properties
- Melting point
- 94 oC · >94oC (dec.)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly, Heated, Sonicated), DMSO (Slightly)
- pka
- 4.5 · 4.5(at 25℃)
- color
- White to Off-White
- Stability
- Hygroscopic
- Major Application
- forensics and toxicologypharmaceutical (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
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute Tox. 4 (100%)
Toxicology
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Fenoprofen calcium
vMost-DILI-concern
8
Warnings & precautions
DOI:10.1016/j.drudis.2016.02.015
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- rtecs
- CY1678900
- hs_code
- 2918992090
- Toxicity
- LD50 orally in mice: 800 mg/kg (Emmerson)
- risk_code
- 20/21/22
Chemistry & industry
Pharmacology
FDA Pharmacological Classification
FENOPROFEN CALCIUM
Anti-Inflammatory Agents, Non-Steroidal [CS]; Nonsteroidal Anti-inflammatory Drug [EPC]; Cyclooxygenase Inhibitors [MoA]
MeSH Pharmacological Classification
Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.
Compounds or agents that combine with cyclooxygenase (PROSTAGLANDIN-ENDOPEROXIDE SYNTHASES) and thereby prevent its substrate-enzyme combination with arachidonic acid and the formation of eicosanoids, prostaglandins, and thromboxanes.
Applications
UsesAntiinflammatory;Cyclooxygenase inhibitor
UsesFenoprofen Calcium Salt Dihydrateis an anti-inflammatory; analgesic.
Suppliers90 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
上海麦克林生化科技股份有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…