Nylidrin Hydrochloride - ≥99% , CAS No.849-55-8

CAS: 849-55-8 Cat. No.: N413257 分子式: C₁₉H₂₅NO₂.HCl 分子量: 335.87 EC番号: 212-701-0

GRADE & PURITY ≥99%

Synonyms

12R07I1K8C | 4-(1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl)phenol hydrochloride | AMY23363 | Buphenine HCl | EC69E3PW7E | AS-19644 | s5267 | DTXSID4039233 | NCGC00094222-04 | HY-B1404 | Pharmakon1600-01500445 | P-HYDROXY-.ALPHA.-(1-((1-METHYL-3-PHENYLPRO

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Information

Nylidrin Hydrochloride (Buphenine), aβ-adrenergicagonist, is used therapeutically for its vasodilating effect on the peripheral circulation and possibly on the cerebral circulation as well.

Targets

β-adrenergic receptor

Specifications

同義語

12R07I1K8C | 4-(1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl)phenol hydrochloride | AMY23363 | Buphenine HCl | EC69E3PW7E | AS-19644 | s5267 | DTXSID4039233 | NCGC00094222-04 | HY-B1404 | Pharmakon1600-01500445 | P-HYDROXY-.ALPHA.-(1-((1-METHYL-3-PHENYLPRO

仕様と純度

≥99%

生化学的・生理学的メカニズム

Nylidrin Hydrochloride (Buphenine), a β-adrenergic agonist, is used therapeutically for its vasodilating effect on the peripheral circulation and possibly on the cerebral circulation as well.

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥99%

製品の性質

• ALogP: 4.112
• HBD数: 3
• 回転可能な結合: 7

名前と識別子

• パブケム・シド: 504763907
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504763907
• カノニカル・スマイル: CC(CCC1=CC=CC=C1)NC(C)C(C2=CC=C(C=C2)O)O.Cl
• IUPAC Name: 4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl]phenol;hydrochloride
• InChIKey: CLJHABUMMDMAFA-UHFFFAOYSA-N
• INCHI: 1S/C19H25NO2.ClH/c1-14(8-9-16-6-4-3-5-7-16)20-15(2)19(22)17-10-12-18(21)13-11-17;/h3-7,10-15,19-22H,8-9H2,1-2H3;1H
• 異性体SMILES: CC(CCC1=CC=CC=C1)NC(C)C(C2=CC=C(C=C2)O)O.Cl
• 分子量: 335.87
• Reaxy-Rn: 4166703
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4166703&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Phenylpropanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Phenylpropanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanes
• Alternative Parents: Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Secondary alcohols 1,2-aminoalcohols Dialkylamines Organopnictogen compounds Organic zwitterions Organic chloride salts Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - 1,2-aminoalcohol - Secondary alcohol - Secondary aliphatic amine - Secondary amine - Organic nitrogen compound - Organic zwitterion - Aromatic alcohol - Organic salt - Organic chloride salt - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Alcohol - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
• 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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作用メカニズム

化学的性質と物理的性質

• 溶解度: Solubility (25°C) In vitro DMSO: 67 mg/mL (199.48 mM); Ethanol: 10 mg/mL (29.77 mM); Water: 2 mg/mL (5.95 mM)
• 感度: Moisture sensitive
• 水（mg / mL） 最大溶解度: 67
• 水（mM） 最大溶解度: 199.481942418198
• 分子量: 335.900 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 335.165 Da
• Monoisotopic Mass: 335.165 Da
• Topological Polar Surface Area: 52.500 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 296.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 3
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3