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

CAS: 18910-65-1 Cat. No.: S125811 Fórmula: C₁₉H₂₅NO₄ Peso molecular: 331.42 PubChem CID: 86805

CALIDAD & PUREZA ≥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

Descripción general

Salmefamol is a beta-adrenergic agonist.

Especificaciones

Sinónimos

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

Especificaciones y pureza

≥98%, mixture of isomers

Mecanismos bioquímicos y fisiológicos

Salmefamol is useful for treatment of respiratory diseases

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

528772871

Sonrisas canónicas

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

Isómeros SMILES

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

PubChem CID

86805

Peso molecular

331.42

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: DMSO
• Peso molecular: 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