Basic information
- CAS
71109-09-6- Standard SMILES
CC(C(=O)O)c1ccc(C2CCCCC2)c2ccccc12- InChIKey
VZUGVMQFWFVFBX-UHFFFAOYSA-N- Molecular formula
- C19H22O2
- Average molar mass
- 282.4 g/mol
- Monoisotopic mass
- 282.16197994
Overview
2-(4-cyclohexyl-1-naphthyl)propanoic acid is a member of the class of naphthalenes that is propionic acid in which one of the alpha-hydrogens is replaced by a 4-cyclohexyl-1-naphthyl group. It is a monocarboxylic acid and a member of naphthalenes. It is functionally related to a propionic acid.
Names & identifiers
- Preferred name
- Vedaprofen
- IUPAC
- 2-(4-cyclohexylnaphthalen-1-yl)propanoic acid
- English name
- 4-cyclohexyl-alpha-methylnaphthalene-1-acetic acid
- Molecular formula
- C19H22O2
- Molecular weight
- 282.38
Names & synonyms
Vedaprofen71109-09-6QuadrisolCERM 10202PM-150vedaprofenevedaprofenoDTXSID5049077OKX88EO7OIPM 150Vedaprofen for veterinary useVedaprofen [USAN:INN:BAN]
Show more names
Vedaprofen CRSVedaprofen Standard4-Cyclohexyl-α-Methyl-Vedaprofen, 10 mM in DMSOVedaprofen 100 μg/mL in Acetonitrile2-(4-Cyclohexil-1-naphthyl)-propionic Acid2-(1-cyclohexylnaphthalen-4-yl)propanoic acid
CERM-10202VEDAPROFEN [MI]VEDAPROFEN [INN]VEDAPROFEN [JAN]EINECS 275-196-6VEDAPROFEN [USAN]VEDAPROFEN [MART.]DTXCID5029003
Database identifiers
- CAS
71109-09-6- PubChem CID
- 72158
- DTXSID
DTXSID5049077- ChEMBL
CHEMBL2104464- ChEBI
CHEBI:76284- UNII
- OKX88EO7OI
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 359
Experimental & physicochemical properties
Animal Drugs
EMA approved medicines: Veterinary medicine
Pharmaceuticals -> UK Veterinary Medicines Directorate List
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 150 °C · 150°C
- Boiling point
- 465.9 · 465.9±14.0 °C(Predicted)
- Density
- 1.132 · 1.132±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- 25 mg/ml; · DMF: 25 mg/ml; DMSO: 10 mg/ml; Ethanol: 10 mg/ml
- form
- Solid
- pka
- 4.9 · 4.90±0.30(Predicted)
- color
- White to off-white
- BRN
- 5568831 · 5568831
- Major Application
- forensics and toxicologypharmaceutical (small molecule)
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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- Toxicity
- LD50 orally in rat: 400 mg/kg (Godfroid)
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P301+P312+P330
Chemistry & industry
Pharmacology
ATC CodeQM - Musculo-skeletal system
Applications
UsesPropionic acid type non-steroidal anti-inflammatory drug (NSAID).
Suppliers25 total
Hubei Chuchang Biotech Co., Ltd.+86-18727130788 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
上海陶术生物科技股份有限公司
Related reactions
2 records
Compound notes
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