butyryltri-n-hexylcitrate
Product Information
Molecular Formula
C28H50O8
Molecular Weight
514.7
Description
Butyryltri-n-hexylcitrate is a biomedical product used in the drug development of skin disorders and diseases. It acts as a plasticizer and is commonly found in topical pharmaceutical preparations, such as creams and ointments. It helps to improve the application, spreadability, and absorption of drugs, enhancing their effectiveness in treating skin conditions.
Synonyms
Butyrylcitric Acid Trihexyl Ester||||Trihexyl 2-(Butyryloxy)propane-1,2,3-tricarboxylate||||2-(Butyryloxy)propane-1,2,3-tricarboxylic Acid Trihexyl Ester||||Butyryl Trihexyl Citrate
IUPAC Name
trihexyl 2-butanoyloxypropane-1,2,3-tricarboxylate
SMILES
CCCCCCOC(=O)CC(CC(=O)OCCCCCC)(C(=O)OCCCCCC)OC(=O)CCC
InChI
InChI=1S/C28H50O8/c1-5-9-12-15-19-33-25(30)22-28(36-24(29)18-8-4,27(32)35-21-17-14-11-7-3)23-26(31)34-20-16-13-10-6-2/h5-23H2,1-4H3
InChI Key
GWVUTNGDMGTPFE-UHFFFAOYSA-N
Boiling Point
247 °C
Melting Point
-55°C(lit.)
Flash Point
234 °C
Purity
>92.0%(GC)
Density
1.00
Appearance
Colorless to Light yellow clear liquid
Refractive Index
n20/D 1.448(lit.)
Safety Information
Hazards
H410:
Very toxic to aquatic life with long-lasting effects.
Very toxic to aquatic life with long-lasting effects.
Precautionary Statement
P273:
Avoid release to the environment.
P391:
Collect spillage.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.
Avoid release to the environment.
P391:
Collect spillage.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.
Computed Properties
XLogP3
7.4
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
27
Exact Mass
514.35056855 g/mol
Monoisotopic Mass
514.35056855 g/mol
Topological Polar Surface Area
105Ų
Heavy Atom Count
36
Formal Charge
0
Complexity
589
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| WO-2022056326-A1 | Anticoagulant compounds, methods and devices for ophthalmic use | 2020-09-11 |
| WO-2022047394-A1 | 3d printed composites from phase separated materials | 2020-08-31 |
| WO-2022029040-A1 | Device for welding a pouch | 2020-08-03 |
| WO-2022031758-A1 | Anticoagulant compounds and methods and devices for their pulmonary use | 2020-08-03 |
| WO-2021260211-A1 | Targeted release rifaximin compositions | 2020-06-26 |
| US-2021386759-A1 | Compositions and methods for post-operative ocular care | 2020-06-10 |
| WO-2021252054-A1 | Compositions and uses in method for post-operative ocular care | 2020-06-10 |
| US-2022039976-A1 | Anticoagulant compounds and methods and devices for their use | 2020-05-26 |
| WO-2021242783-A1 | Anticoagulant compounds and methods and devices for their use | 2020-05-26 |
| WO-2021231650-A2 | Dehp-free blood storage and methods of use thereof | 2020-05-13 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 22867706 | 2012-09-01 | Twelve-month results of a paclitaxel releasing balloon in patients presenting with in-stent restenosis First-in-Man (PEPPER) trial | Cardiovascular revascularization medicine : including molecular interventions |
| 21981439 | 2012-04-01 | Volume-reduced platelet concentrates: optimization of production and storage conditions | Transfusion |
| 21986331 | 2011-10-30 | Vascular effects of paclitaxel following drug-eluting balloon angioplasty in a porcine coronary model: the importance of excipients | EuroIntervention : journal of EuroPCR in collaboration with the Working Group on Interventional Cardiology of the European Society of Cardiology |
| 21572709 | 2011-01-01 | Hexamoll DINCH plasticised PVC containers for the storage of platelets | Asian journal of transfusion science |
| 18783581 | 2008-08-01 | Platelet storage in Fresenius/NPBI polyolefin and BTHC-PVC bags: a direct comparison | Transfusion medicine (Oxford, England) |
| 15348529 | 2003-10-01 | Blood response to plasticized poly(vinyl chloride): dependence of fibrinogen adsorption on plasticizer selection and surface plasticizer level | Journal of materials science. Materials in medicine |
| 12375654 | 2002-07-01 | Biochemical and structural changes in RBCs stored with different plasticizers: the role of hexanol | Transfusion |
