Penbutolol - Moligand™, ≥98% , CAS No.38363-40-5

CAS: 38363-40-5 Cat. No.: P612688 Fórmula: C₁₈H₂₉NO₂ Peso molecular: 291.43

GRADE & PURITY Moligand™, ≥98%

Synonyms

PENBUTOLOL [WHO-DD] | (2S)-1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol | 2-PROPANOL, 1-(2-CYCLOPENTYLPHENOXY)-3-((1,1-DIMETHYLETHYL)AMINO)-, (2S)- | Penbutololum | UNII-78W62V43DY | C07416 | PENBUTOLOL SULFATE | tert-butyl[(2S)-3-(2-cyclopenty

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

PENBUTOLOL [WHO-DD] | (2S)-1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol | 2-PROPANOL, 1-(2-CYCLOPENTYLPHENOXY)-3-((1,1-DIMETHYLETHYL)AMINO)-, (2S)- | Penbutololum | UNII-78W62V43DY | C07416 | PENBUTOLOL SULFATE | tert-butyl[(2S)-3-(2-cyclopenty

Especificações e pureza

Moligand™, ≥98%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Tipo de ação

ANTAGONIST

Pureza

≥98%

Nomes e identificadores

Sorrisos canónicos

O[C@H](COc1ccccc1C1CCCC1)CNC(C)(C)C

IUPAC Name

tert-butyl[(2S)-3-(2-cyclopentylphenoxy)-2-hydroxypropyl]amine

InChIKey

KQXKVJAGOJTNJS-HNNXBMFYSA-N

INCHI

1S/C18H29NO2/c1-18(2,3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14/h6-7,10-11,14-15,19-20H,4-5,8-9,12-13H2,1-3H3/t15-/m0/s1

SMILES isoméricas

CC(C)(C)NC[C@@H](COC1=CC=CC=C1C2CCCC2)O

CAS alternativo

36507-48-9;38363-32-5;38363-41-6

Peso molecular

291.43

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Alkyl aryl ethers Secondary alcohols 1,2-aminoalcohols Dialkylamines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - 1,2-aminoalcohol - Secondary alcohol - Secondary aliphatic amine - Secondary amine - Ether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organopnictogen compound - Amine - Organic oxygen compound - Alcohol - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• External Descriptors: ethanolamines

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

Propriedades químicas e físicas

• Peso molecular: 291.400 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 291.22 Da
• Monoisotopic Mass: 291.22 Da
• Topological Polar Surface Area: 41.500 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 294.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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: 1