Belfosdil
Basic information
- CAS
103486-79-9- Standard SMILES
CCCCOP(=O)(CC(CCOc1ccccc1)CP(=O)(OCCCC)OCCCC)OCCCC- InChIKey
QTBMDDQRDDABNC-UHFFFAOYSA-N- Molecular formula
- C27H50O7P2
- Average molar mass
- 548.6 g/mol
- Monoisotopic mass
- 548.30317793
Overview
Belfosdil is a small molecule drug. The usage of the INN stem '-dil' in the name indicates that Belfosdil is a vasodilator. Belfosdil has a monoisotopic molecular weight of 548.3 Da.
Names & identifiers
- Preferred name
- Belfosdil
- IUPAC
- [4-dibutoxyphosphoryl-3-(dibutoxyphosphorylmethyl)butoxy]benzene
- English name
- belfosdil
- Molecular formula
- C27H50O7P2
- Molecular weight
- 548.633
Names & synonyms
Belfosdil103486-79-9BMY-21891SR-7037BelfosdilumW91CMS1V7ZPhosphonic acid, (2-(2-phenoxyethyl)-1,3-propanediyl)bis-, tetrabutyl esterDTXSID40869395RefChem:916810DTXCID90817381tert-butyl-2-(2-phenoxyethyl)-1,3-propylidene diphosphonate[4-dibutoxyphosphoryl-3-(dibutoxyphosphorylmethyl)butoxy]benzene
Show more names
Phosphonic acid, P,P'-[2-(2-phenoxyethyl)-1,3-propanediyl]bis-, P,P,P',P'-tetrabutyl ester
Tetrabutyl (2-(2-phenoxyethyl)propane-1,3-diyl)bis(phosphonate)BELFOSDIL [INN]Belfosdil (USAN/INN)Belfosdil [USAN:INN]BELFOSDIL [USAN]Belfosdilum [INN-Latin]UNII-W91CMS1V7ZSCHEMBL122318
Database identifiers
- CAS
103486-79-9- PubChem CID
- 72122
- DTXSID
DTXSID40869395- ChEMBL
CHEMBL2103776- UNII
- W91CMS1V7Z
- Nikkaji
- J453.044F
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 24
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 543
Physicochemical properties
- Boiling point
- 205 · 205-210 °C(Press: 0.05 Torr)
- Density
- 1.059 · 1.059±0.06 g/cm3(Predicted)
- FDA UNII
- 91 CMS1V7Z · W91CMS1V7Z
Chemistry & industry
Applications
UsesAntihypertensive (calcium channel blocker).
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Related reactions
0 records
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Compound notes
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