Tocanfil
Basic information
- CAS
5634-42-4- Standard SMILES
Cc1ccc(C(C)OC(=O)C2(C)CCC(C(=O)O)C2(C)C)cc1.OCCNCCO- InChIKey
WSEQDEFUEFCRLT-UHFFFAOYSA-N- Molecular formula
- C23H37NO6
- Average molar mass
- 423.5 g/mol
- Monoisotopic mass
- 423.2620879
Overview
Tocamphyl is a carboxylic ester. It is functionally related to a benzyl alcohol.
Names & identifiers
- Preferred name
- Tocanfil
- IUPAC
- 2-(2-hydroxyethylamino)ethanol;2,2,3-trimethyl-3-[1-(4-methylphenyl)ethoxycarbonyl]cyclopentane-1-carboxylic acid
- English name
- tocamphyl
- Molecular formula
- C19H26O4.C4H11NO2
- Molecular weight
- 423.546
Names & synonyms
Tocanfil2-(2-hydroxyethylamino)ethanol;2,2,3-trimethyl-3-[1-(4-methylphenyl)ethoxycarbonyl]cyclopentane-1-carboxylic acidTocamphyl (JAN/USAN/INN)SCHEMBL123073orb1695037CHEMBL2104759CHEBI:32237WSEQDEFUEFCRLT-UHFFFAOYSA-NTox21_113936AKOS040754222NCGC00262943-01CAS-5634-42-4
Show more names
GallogenSyncumaLicarbinLymetholtocamphylBiliphorinHepatoxaneBiliphorineHepasynthyl
CS-0092171NS00081237D01640T348952,2,3-Trimethyl-3-{[1-(4-methylphenyl)ethoxy]carbonyl}cyclopentane-1-carboxylic acid--2,2'-azanediyldi(ethan-1-ol) (1/1)
Database identifiers
- CAS
5634-42-4- PubChem CID
- 21853
- DTXSID
DTXSID8057778- ChEMBL
CHEMBL2104759- ChEBI
Properties
Computed structural properties
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 491
Physicochemical properties
- FDA UNII
- 9 C8C4SBN10 · 9C8C4SBN10
Chemistry & industry
Applications
UsesTocamphyl is an active compound.
Additional notes
DefinitionChEBI: Tocamphyl is a carboxylic ester. It is functionally related to a benzyl alcohol.
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Related reactions
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Compound notes
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