Basic information
- CAS
35543-24-9- Standard SMILES
COc1cc(OC)c(C(=O)CCC[NH+]2CCCC2)c(OC)c1.[Cl-]- InChIKey
ZDPACSAHMZADFZ-UHFFFAOYSA-N- Molecular formula
- C17H26ClNO4
- Average molar mass
- 343.8 g/mol
- Monoisotopic mass
- 343.155036
Overview
1-[3-(2,4,6-Trimethoxybenzoyl)propyl]pyrrolidinium chloride is an aromatic ketone.
Names & identifiers
- Preferred name
- 4-Pyrrolidin-1-ium-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one;chloride
- IUPAC
- 4-pyrrolidin-1-ium-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one chloride
- English name
- Buflomedil hydrochloride
- Molecular formula
- C17H26ClNO4
- Molecular weight
- 343.85
Names & synonyms
4-pyrrolidin-1-ium-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one;chlorideBuflomedil hydrochloride (JAN)Botamiral (TN)BuflomedilhydrochlorideCHEBI:182535AKOS015900393NS00089041D07548D707881-[4-oxo-4-(2,4,6-trimethoxy-phenyl)but-1-yl]pyrrolidinium hydrochlorideBUFLOMEDIL HCLBuflan
Show more names
ll1656LoftonLoftylProvasrrodanIrrodana-48257bufedil
Database identifiers
- CAS
35543-24-9- PubChem CID
- 37170
- ChEBI
CHEBI:182535
Properties
Computed structural properties
- Topological polar surface area
- 49.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 330
Physicochemical properties
- Melting point
- 192 · 192-193°
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Freely soluble in water, soluble in ethanol (96 per cent), very slightly soluble in acetone.
- form
- Solid
- color
- White to Off-White
- Major Application
- pharmaceutical (small molecule)
- InChI
- 1S/C17H25NO4.ClH/c1-20-13-11-15(21-2)17(16(12-13)22-3)14(19)7-6-10-18-8-4-5-9-18;/h11-12H,4-10H2,1-3H3;1H
- InChIKey
- ZDPACSAHMZADFZ-UHFFFAOYSA-N
- SMILES
- Cl.COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1
- CAS DataBase Reference
- 35543 · 35543-24-9(CAS DataBase Reference)
- FDA UNII
- 3 J944AFS8S · 3J944AFS8S
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- rtecs
- EL9885000
- hs_code
- 2933.99.8290
- Toxicity
- LD50 in mice (mg/kg): 80 ±4.6 i.v. (Lafon)
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312+P330-P501
Chemistry & industry
Applications
DescriptionBuflomedil hydrochloride is a vasoactive drug with a variety of actions. It is an alpha-adrenoceptor antagonist and a weak calcium channel blocker. It inhibits platelet aggregation and improves erythrocyte deformability. However, its mechanism of action in peripheral vascular disease is not known.Buflomedil has generally been well tolerated by most patients in clinical trials. The most frequently reported adverse effects include flushing, headache, vertigo, gas-trointestinal discomfort, and dizziness. These rarely require drug withdrawal. In controlled trials, adverse effects have occurred in 20% of patients assigned to buflomedil and 18% of those assigned to placebo; only gastrointestinal discomfort occurred more frequently in buflomedil-treated patients (3.4 versus 2%)
UsesBuflomedil hydrochloride is a vasoactive agent. Its mode of action involves increasing the peripheral and cerebral blood flow in ischaemic tissues of patients, who are mostly affected with vascular diseases.Buflomedil. A review of its pharmacodynamic and pharmacokinetic properties, and therapeutic efficacy in peripheral and cerebral vascular diseases
Uses1-[3-(2,4,6-Trimethoxybenzoyl)propyl]pyrrolidinium chloride is used as an vasodilator (peripheral).
Upstream & downstream products
Upstream raw materials
Suppliers100 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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