Salmefamol - ≥98%, mixture of isomers , CAS No.18910-65-1

CAS: 18910-65-1 Cat. No.: S125811 分子式: C₁₉H₂₅NO₄ 分子量: 331.42 PubChem CID: 86805

グレード＆純度 ≥98%, mixture of isomers

Synonyms

AH3923 | AHR 3929 | Salmefamolum [INN-Latin] | 4-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]-2-(hydroxymethyl)phenol | AH 3923 | AH-3923 | EINECS 242-662-5 | Q56SEY8X9J | Salmefamolum | AHR-3929 | AHR3929

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Salmefamol is a beta-adrenergic agonist.

仕様

同義語

AH3923 | AHR 3929 | Salmefamolum [INN-Latin] | 4-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]-2-(hydroxymethyl)phenol | AH 3923 | AH-3923 | EINECS 242-662-5 | Q56SEY8X9J | Salmefamolum | AHR-3929 | AHR3929

仕様と純度

≥98%, mixture of isomers

生化学的・生理学的メカニズム

Salmefamol is useful for treatment of respiratory diseases

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

≥98%

名前と識別子

パブケム・シド

528772871

カノニカル・スマイル

CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)CO)O

IUPAC Name

4-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]-2-(hydroxymethyl)phenol

InChIKey

VPMWDFRZSIMDKW-UHFFFAOYSA-N

INCHI

1S/C19H25NO4/c1-13(9-14-3-6-17(24-2)7-4-14)20-11-19(23)15-5-8-18(22)16(10-15)12-21/h3-8,10,13,19-23H,9,11-12H2,1-2H3

異性体SMILES

CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)CO)O

PubChem CID

86805

分子量

331.42

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Phenethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Amphetamines and derivatives
• Alternative Parents: Phenylpropanes Phenoxy compounds Methoxybenzenes Benzyl alcohols Anisoles Aralkylamines Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Secondary alcohols 1,2-aminoalcohols Dialkylamines Primary alcohols Organopnictogen compounds Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Amphetamine or derivatives - Phenylpropane - Phenoxy compound - Anisole - Benzyl alcohol - Phenol ether - Methoxybenzene - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - 1,2-aminoalcohol - Secondary alcohol - Ether - Secondary aliphatic amine - Secondary amine - Primary alcohol - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Alcohol - Organic nitrogen compound - Aromatic alcohol - Amine - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.
• 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

化学的性質と物理的性質

• 溶解度: DMSO
• 分子量: 331.400 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 331.178 Da
• Monoisotopic Mass: 331.178 Da
• Topological Polar Surface Area: 82.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 346.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1