Basic information
- CAS
40680-87-3- Standard SMILES
COc1c(C(O)CCc2ccc(O)cc2)c(OCCN2CCCCC2)c(OC)c2occc12- InChIKey
LIAPJIQUUKLLDZ-UHFFFAOYSA-N- Molecular formula
- C26H33NO6
- Average molar mass
- 455.5 g/mol
- Monoisotopic mass
- 455.23078777
Overview
structure
Names & identifiers
- Preferred name
- Piprofurol
- IUPAC
- 4-[3-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]-3-hydroxypropyl]phenol
- English name
- piprofurol
- Molecular formula
- C26H33NO6
- Molecular weight
- 455.548
Names & synonyms
Piprofurol40680-87-3Piprofurolum3745QN167ARefChem:174486255-035-6Piprofurol [INN]4-[3-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]-3-hydroxypropyl]phenol5-Benzofuranmethanol, 4,7-dimethoxy-alpha-(2-(4-hydroxyphenyl)ethyl)-6- (2-(1-piperidinyl)ethoxy)-Piprofurolum [INN-Latin]EINECS 255-035-6BRN 1276232
Show more names
α-(p-Hydroxyphenethyl)-4,7-dimethoxy-6-[(2-piperidinoethyl)oxy]-5-benzofuranmethanol4,7-Dimethoxy-α-[2-(4-hydroxyphenyl)ethyl]-6-[2-(1-piperidinyl)ethoxy]-5-benzofuranmethanol5-Benzofuranmethanol, α-[2-(4-hydroxyphenyl)ethyl]-4,7-dimethoxy-6-[2-(1-piperidinyl)ethoxy]-
UNII-3745QN167A4-(3-(4,7-DIMETHOXY-6-(2-PIPERIDIN-1-YLETHOXY)-1-BENZOFURAN-5-YL)-3-HYDROXYPROPYL)PHENOLorb1701788SCHEMBL2109552CHEMBL2106882DTXSID40866006LIAPJIQUUKLLDZ-UHFFFAOYSA-NAKOS040747281
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 565
Physicochemical properties
- Boiling point
- 640.7 · 640.7±55.0 °C(Predicted)
- Density
- 1.214 · 1.214±0.06 g/cm3(Predicted)
- pka
- 10.05 · 10.05±0.15(Predicted)
- FDA UNII
- 3745 QN167A · 3745QN167A
Chemistry & industry
Applications
UsesPiprofurol is a calcium channel inhibitor. Piprofurol inhibits the calcium-induced contractions in isolated potassium depolarized preparations of rat aorta in a concentration-dependent manner and relaxes the K+-induced contraction of the dog coronary artery and the rabbit basilar artery. Piprofurol exerts a negative inotropic effect on guinea-pig papillary muscle, with the EC50 of 5 μM[1].
Suppliers4 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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