Buflomedil HCl - ≥98% , CAS No.35543-24-9

CAS: 35543-24-9 Cat. No.: B129336 Summenformel: C₁₇H₂₅NO₄·HCl Molekulargewicht: 343.85 EG-Nummer: 252-611-9

GRADE & PURITY ≥98%

Synonyms

Bufedil | Buflomedil (hydrochloride) | Buflomedil HCl | Loftyl | MLS006010627 | BCP13305 | AB03021 | NCGC00256242-01 | SY102086 | CAS-35543-24-9 | DTXCID902511 | Fonzylane | LL 1656 | Buflocit | SW196920-4 | NC00128 | NSC 759291 | Buflomedil hydrochloride

Storage

Store at 2-8°C

Shipped In

Wet ice

Übersicht

Buflomedil HCl is a vasodilator used to treat claudication or the symptoms of peripheral arterial disease.
A neurotransmitter agent.

Specifications

Synonyme

Bufedil | Buflomedil (hydrochloride) | Buflomedil HCl | Loftyl | MLS006010627 | BCP13305 | AB03021 | NCGC00256242-01 | SY102086 | CAS-35543-24-9 | DTXCID902511 | Fonzylane | LL 1656 | Buflocit | SW196920-4 | NC00128 | NSC 759291 | Buflomedil hydrochloride

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

ANTAGONIST

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488195747

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488195747

Kanonisches Lächeln

COC1=CC(=C(C(=C1)OC)C(=O)CCCN2CCCC2)OC.Cl

IUPAC Name

4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one;hydrochloride

InChIKey

ZDPACSAHMZADFZ-UHFFFAOYSA-N

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

Isomere SMILES

COC1=CC(=C(C(=C1)OC)C(=O)CCCN2CCCC2)OC.Cl

RTECS

EL9900000

Alternative CAS-Nummer

55837-25-7；35543-24-9

Molekulargewicht

343.85

Reaxy-Rn

6023423

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6023423&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Ketones
          • Ebene6 Aryl ketones
            • Ebene7 Phenylketones
              • Ebene8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Butyrophenones Phenylbutylamines Anisoles Aryl alkyl ketones Benzoyl derivatives Methoxybenzenes Phenoxy compounds Alkyl aryl ethers N-alkylpyrrolidines Gamma-amino ketones Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organic chloride salts Organic oxides Organic zwitterions Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl-phenylketone - Butyrophenone - Phenylbutylamine - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Methoxybenzene - Aryl alkyl ketone - Alkyl aryl ether - Monocyclic benzene moiety - Gamma-aminoketone - N-alkylpyrrolidine - Benzenoid - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Ether - Organoheterocyclic compound - Organopnictogen compound - Organic chloride salt - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic zwitterion - Organic salt - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

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Pseudomonas aeruginosa (123386 Activities)

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Acinetobacter baumannii (41033 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO 31 mg/mL Water 69 mg/mL Ethanol 7 mg/mL
• Schmelzpunkt (°C): 193°C
• Molekulargewicht: 343.800 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 343.155 Da
• Monoisotopic Mass: 343.155 Da
• Topological Polar Surface Area: 48.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 330.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3