(±)-Penbutolol - Moligand™, ≥97% , CAS No.36507-48-9

CAS: 36507-48-9 Cat. No.: R340217 Summenformel: C₁₈H₂₉NO₂ Molekulargewicht: 291.43

GRADE & PURITY Moligand™, ≥97%

Synonyms

1ST1324 | AB00514016 | DTXSID10860556 | L013431 | Prestwick0_001043 | (S)-Penbutolol;(-)-Isopenbutolol | CAS_38363-40-5 | SPBio_002903 | Prestwick2_001043 | BPBio1_001064 | BSPBio_000966 | rac Penbutolol | SCHEMBL49358 | SB82073 | 1-(tert-Butylamino)-3-(o

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

(±)-Penbutolol ((Rac)-Penbutolol) is the racemic mixture of Penbutolol. (±)-Penbutolol is a active β-adrenergic receptor antagonist. (±)-Penbutolol antagonizes exercise-induced tachycardia, reduces the increase in peak expiratory flow rate (PEFR) caused by exercise, and decreases resting plasma renin activity (PRA). (±)-Penbutolol with a half-life of 4.5 hours, and is converted into an active metabolite in the body. (±)-Penbutolol can be used in cardiovascular-related disease research.

Specifications

Synonyme

1ST1324 | AB00514016 | DTXSID10860556 | L013431 | Prestwick0_001043 | (S)-Penbutolol;(-)-Isopenbutolol | CAS_38363-40-5 | SPBio_002903 | Prestwick2_001043 | BPBio1_001064 | BSPBio_000966 | rac Penbutolol | SCHEMBL49358 | SB82073 | 1-(tert-Butylamino)-3-(o

Spezifikationen & Reinheit

Moligand™, ≥97%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Note

Moligand™

Aktionsart

ANTAGONIST

Reinheit

≥97%

Namen und Kennungen

Kanonisches Lächeln

CC(C)(C)NCC(COC1=CC=CC=C1C2CCCC2)O

IUPAC Name

1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol

InChIKey

KQXKVJAGOJTNJS-UHFFFAOYSA-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

Isomere SMILES

CC(C)(C)NCC(COC1=CC=CC=C1C2CCCC2)O

Alternative CAS-Nummer

38363-32-5 ；38363-40-5；38363-41-6

Molekulargewicht

291.43

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 55-75° C
• Molekulargewicht: 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: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1