Basic information
- CAS
107257-20-5- Standard SMILES
Cc1ccc(C(=O)c2cccc(C(C)C(=O)O)c2)cc1- InChIKey
PXERNXYPPAUBJI-UHFFFAOYSA-N- Molecular formula
- C17H16O3
- Average molar mass
- 268.31 g/mol
- Monoisotopic mass
- 268.10994437
Names & identifiers
- Preferred name
- 2-(3-(4-Methylbenzoyl)phenyl)propanoic acid
- IUPAC
- 2-[3-(4-methylbenzoyl)phenyl]propanoic acid
- English name
- rac-4'-Methyl Ketoprofen
- Molecular formula
- C17H16O3
- Molecular weight
- 268.31
Names & synonyms
107257-20-52-[3-(4-Methylbenzoyl)phenyl]propanoic acid2-(3-(4-Methylbenzoyl)phenyl)propanoic acidUNII-V4267UCZ9SV4267UCZ9SKetoprofen specified impurity D [EP](2RS)-2-(3-(4-Methylbenzoyl)phenyl)propanoic acid(2RS)-2-[3-(4-Methylbenzoyl)phenyl]propanoic AcidBenzeneacetic acid, alpha-methyl-3-(4-methylbenzoyl)-KETOPROFEN IMPURITY D [EP IMPURITY]BENZENEACETIC ACID, .ALPHA.-METHYL-3-(4-METHYLBENZOYL)-KETOPROFEN IMPURITY D (EP IMPURITY)
Show more names
Ketoprofen EP IMP DKetolofen EP impurity DKetoprofen Related CoMpound AKetoprofen USP Related Compound AKetoprofen Related CoMpound A (AS)(2RS)-2-[3-(2,4-Dimethylbenzoyl)phe(2RS)-2-[3-(4-Methylbenzoyl)phenyl]
RefChem:197577Ketoprofen specified impurity D(+-)-2-(3-(4-METHYLBENZOYL)PHENYL)PROPANOIC ACIDKetoprofen EP Impurity Drac-4'-Methyl KetoprofenKetoprofen Impurity D(+/-)-2-(3-(4-Methylbenzoyl)phenyl)propanoic acidKETOPROFEN RELATED COMPOUND A (25 MG) (AL-PHA-METHYL-3-(4-METHYLBENZOYL) BENZENEACETIC ACID) (AS)
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 355
Physicochemical properties
- Boiling point
- 458.7 · 458.7±33.0 °C(Predicted)
- Density
- 1.174 · 1.174±0.06 g/cm3(Predicted)
- solubility
- Chloroform (Slightly), Dichloromethane (Slightly)
- pka
- 4.22 · 4.22±0.10(Predicted)
- form
- Sticky Solid to Solid
- color
- Off-White to Beige
- InChI
- InChI=1S/C17H16O3/c1-11-6-8-13(9-7-11)16(18)15-5-3-4-14(10-15)12(2)17(19)20/h3-10,12H,1-2H3,(H,19,20)
- InChIKey
- PXERNXYPPAUBJI-UHFFFAOYSA-N
- SMILES
- c1cc(C(=O)c2cc(C(C(O)=O)C)ccc2)ccc1C
- FDA UNII
- 4267 UCZ9S · V4267UCZ9S
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P203, P264, P270, P280, P301+P316, P318, P321, P330, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- hs_code
- 2918300000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
UsesAn impurity of Ketoprofen (K200800).
Suppliers67 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
天津始加生物医药科技有限公司15022261580 · [email protected]
上海策嵘生物科技有限公司[email protected]
济南百隆化学有限公司[email protected] · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
Guangzhou Tosun Pharmaceutical Limited
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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