Pyrrolidine Ricinoleamide
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Basic information
- CAS
1246776-23-7- Standard SMILES
CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)N1CCCC1- InChIKey
ONIVXONBIIIQQH-ZDKIGPTLSA-N- Molecular formula
- C22H41NO2
- Average molar mass
- 351.6 g/mol
- Monoisotopic mass
- 351.31372955
Names & identifiers
- Preferred name
- Pyrrolidine Ricinoleamide
- IUPAC
- (Z,12R)-12-hydroxy-1-pyrrolidin-1-yloctadec-9-en-1-one
- English name
- Pyrrolidine Ricinoleamide
- Molecular formula
- C22H41NO2
- Molecular weight
- 351.57
Names & synonyms
1246776-23-7Pyrrolidine Ricinoleamide12R-hydroxy-1-(1-pyrrolidinyl)-9Z-octadecen-1-one(R,Z)-12-Hydroxy-1-(pyrrolidin-1-yl)octadec-9-en-1-one(Z,12R)-12-hydroxy-1-pyrrolidin-1-yl-octadec-9-en-1-oneorb1693763CHEMBL1222493AKOS040755240HY-129932CS-0108517T36407(12R)-12-Hydroxy-1-(pyrrolidin-1-yl)octadec-9-en-1-one
Show more names
9-Octadecen-1-one, 12-hydroxy-1-(1-pyrrolidinyl)-, (9Z,12R)-
(Z,12R)-12-hydroxy-1-pyrrolidin-1-yloctadec-9-en-1-one
Database identifiers
- CAS
1246776-23-7- PubChem CID
- 46934878
- ChEMBL
CHEMBL1222493
Properties
Computed structural propertiesFilling in
- XLogP
- 6.2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 15
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 348
Physicochemical properties
- Boiling point
- 506.5 · 506.5±33.0 °C(Predicted)
- Density
- 0.958 · 0.958±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 30 mg/ml; · DMF: 30 mg/ml; DMSO: 25 mg/ml; Ethanol: 30 mg/ml; Ethanol:PBS (pH 7.2) (1:3): 0.25 mg/ml
- pka
- 15.1 · 15.10±0.20(Predicted)
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Danger
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS02
Chemistry & industry
Applications
DescriptionRicinoleic acid is a naturally occurring 12-hydroxy fatty acid. It constitutes about 90% of the fatty acids in castor oil. Pyrrolidine ricinoleamide is a derivative of the amide of ricinoleic acid that shows potent antiproliferative activity against an array of cancer cell lines, including human glioma U251 cells.1
UsesPyrrolidine ricinoleamide ((R)-5d) is a fatty acid amide that exhibits effective antiproliferative activity against a series of cancer cells, including human glioma U251 cells. Pyrrolidine ricinoleamide can be used in cancer research[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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