Basic information
- CAS
50465-39-9- Standard SMILES
Cc1c(C)c2c(c(C)c1OC(=O)C(C)(C)Oc1ccc(Cl)cc1)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2- InChIKey
VPRFDABTJNLKKR-XHZSPPMBSA-N- Molecular formula
- C39H59ClO4
- Average molar mass
- 627.3 g/mol
- Monoisotopic mass
- 626.4101881
Overview
Tocofibrate is a tocol.
Names & identifiers
- Preferred name
- rel-(2R)-3,4-Dihydro-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl 2-(4-chlorophenoxy)-2-methylpropanoate
- IUPAC
- [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] 2-(4-chlorophenoxy)-2-methylpropanoate
- English name
- Tocofibrate
- Molecular formula
- C39H59ClO4
- Molecular weight
- 627.34
Names & synonyms
Tocofibrate50465-39-9TocofibratoTocofibratum2W6ATR00KIJ2.418.597DDTXSID501021595RefChem:930619DTXCID301506604tocopheryl 2-(p-chlorophenoxy)isobutyraterel-(2R)-3,4-Dihydro-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl 2-(4-chlorophenoxy)-2-methylpropanoateTocofibrate [INN]
Show more names
Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, (2R)-3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-yl ester, rel-
[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] 2-(4-chlorophenoxy)-2-methylpropanoateTocofibrato [Spanish]Tocofibratum [INN-Latin]Tocofibrato [INN-Spanish]UNII-2W6ATR00KITocoferol 2-(p-chlorophenoxy)-2-methylpropionateTOCOFIBRATE [MART.]SCHEMBL711451
Database identifiers
- CAS
50465-39-9
Properties
Computed structural properties
- XLogP
- 13.7
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 17
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 851
Physicochemical properties
- Boiling point
- 688.13 °C · 688.13°C (rough estimate)
- Density
- 0.9284 · 0.9284 (rough estimate)
- refractive index
- 1.4429 · 1.4429 (estimate)
- FDA UNII
- 2 W6ATR00KI · 2W6ATR00KI
Chemistry & industry
Suppliers1 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Additional notes
DefinitionChEBI: Tocofibrate is a tocol.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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