Basic information
- Standard SMILES
CC(C)Cc1ccc(C(C)C(=O)OCc2ccccn2)cc1- InChIKey
ACEWLPOYLGNNHV-UHFFFAOYSA-N- Molecular formula
- C19H23NO2
- Average molar mass
- 297.4 g/mol
- Monoisotopic mass
- 297.17287898
Overview
Ibuprofen piconol is an organic molecular entity.
Names & identifiers
- Preferred name
- Ibuprofen Piconol
- IUPAC
- pyridin-2-ylmethyl 2-[4-(2-methylpropyl)phenyl]propanoate
- English name
- Ibuprofen Piconol
- Molecular formula
- C19H23NO2
- Molecular weight
- 297.4
Names & synonyms
ibuprofen piconol64622-45-3PimeprofenStadermBE-100pyridin-2-ylmethyl 2-[4-(2-methylpropyl)phenyl]propanoateDTXSID7023140B0F91K5U4NU-75630DTXCID703140Benzeneacetic acid, alpha-methyl-4-(2-methylpropyl)-, 2-pyridinylmethyl esterpyridin-2-ylmethyl 2-(4-(2-methylpropyl)phenyl)propanoate
Show more names
BO-36BE 100U 75630PicoprofenPimeprophenEinecs 264-979-8
RefChem:923256Pyridin-2-ylmethyl (2RS)-2-(4-(2-methylpropyl)phenyl)propanoate264-979-8IBUPROFENPICONOLVesicum112017-99-9pyridin-2-ylmethyl 2-(4-isobutylphenyl)propanoate2-Pyridylmethyl 2-(4-isobutylphenyl)propionate
Database identifiers
- CAS
64622-45-3- PubChem CID
- 3673
- DTXSID
DTXSID7023140- ChEMBL
CHEMBL2106254- ChEBI
CHEBI:31685- UNII
- B0F91K5U4N
- EC Number
- 264-979-8
- Nikkaji
- J22.058B、J71.054G、J71.055E
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 334
Physicochemical properties
- Boiling point
- 438.9 °C · 438.9°C (rough estimate)
- Density
- 1.0971 · 1.0971 (rough estimate)
- refractive index
- 1.5 · 1.5000 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Acetone (Slightly), Chloroform (Slightly), Methanol (Sparingly)
- form
- Oil
- pka
- 3.36 · 3.36±0.12(Predicted)
- color
- Colourless
- InChI
- InChI=1S/C19H23NO2/c1-14(2)12-16-7-9-17(10-8-16)15(3)19(21)22-13-18-6-4-5-11-20-18/h4-11,14-15H,12-13H2,1-3H3
- InChIKey
- ACEWLPOYLGNNHV-UHFFFAOYSA-N
- SMILES
- C(C1C=CC(CC(C)C)=CC=1)(C)C(=O)OCC1N=CC=CC=1
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 0 F91K5U4N · B0F91K5U4N
Chemistry & industry
Applications
DescriptionPimaprofen (ibuprofen piconol) is an antiinflammatory agent useful in the topical treatment of acute and chronic eczema, and contact and atopic dermatitis.
UsesIbuprofen Piconol is an anti-inflammatory agent that can be synthesized from Ibuprofen (I140000), which is a selective cyclooxygenase inhibitor.
Suppliers50 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
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T&W GROUP021-61551611 13296011611 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
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艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
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上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
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武汉沃格达生物科技有限公司15071299552 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
湖北威德利化学试剂有限公司027-83778876; 13667159345 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
威尔曼医药集团有限公司15807197853 18971451745 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
Additional notes
DefinitionChEBI: Ibuprofen piconol is an organic molecular entity.
Related reactions
2 records
Linked notes
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