Ractopamine hydrochloride - 10mM in DMSO , CAS No.90274-24-1

CAS: 90274-24-1 Cat. No.: R426840 Molecular Weight: 337.84 EC Number: 415-170-5

GRADE & PURITY 10mM in DMSO

Synonyms

Ractopamine hydrochloride|90274-24-1|Ractopamine HCl|El737|Optaflexx 45|4-(1-Hydroxy-2-((4-(4-hydroxyphenyl)butan-2-yl)amino)ethyl)phenol hydrochloride|LYO31537|NSC-759638|DTXSID1046471|309G9J93TP|Butopamine-d4Hydrochloride|LYO-31537|Ractopamine (hydrochl

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyms

Ractopamine hydrochloride | 90274-24-1 | Ractopamine HCl | El737 | Optaflexx 45 | 4-(1-Hydroxy-2-((4-(4-hydroxyphenyl)butan-2-yl)amino)ethyl)phenol hydrochloride | LYO31537 | NSC-759638 | DTXSID1046471 | 309G9J93TP | Butopamine-d4Hydrochloride | LYO-31537 | Ractopamine (hydrochl

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

Potent β 1 and β 2 -adrenoceptor agonist. Increases force and rate of atrial contractions (EC 50 = 100 nM). Relaxes KCl-contracted smooth muscle (EC 50 = 60 nM). Orally active in vivo.

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: CC(CCC1=CC=C(C=C1)O)NCC(C2=CC=C(C=C2)O)O.Cl
• IUPAC Name: 4-[3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol;hydrochloride
• InChIKey: JHGSLSLUFMZUMK-UHFFFAOYSA-N
• INCHI: 1S/C18H23NO3.ClH/c1-13(2-3-14-4-8-16(20)9-5-14)19-12-18(22)15-6-10-17(21)11-7-15;/h4-11,13,18-22H,2-3,12H2,1H3;1H
• Isomeric SMILES: CC(CCC1=CC=C(C=C1)O)NCC(C2=CC=C(C=C2)O)O.Cl
• Molecular Weight: 337.84
• Reaxy-Rn: 4894934
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4894934&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenols
      • Subclass 1-hydroxy-2-unsubstituted benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenols
• Subclass: 1-hydroxy-2-unsubstituted benzenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-hydroxy-2-unsubstituted benzenoids
• Alternative Parents: Aralkylamines Benzene and substituted derivatives Secondary alcohols 1,2-aminoalcohols Dialkylamines Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Monocyclic benzene moiety - 1,2-aminoalcohol - Secondary alcohol - Secondary aliphatic amine - Secondary amine - Aromatic alcohol - Alcohol - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Hydrochloride - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that a unsubstituted at the 2-position.
• 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

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Melt Point(°C): 148 - 150°C
• Molecular Weight: 337.800 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 337.144 Da
• Monoisotopic Mass: 337.144 Da
• Topological Polar Surface Area: 72.700 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 297.000
• 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: 2

XLogP3

References

1. Guang-Ming Bao, Shun-Qiang Cui, Yi-Fan Xia, Zhen-Chong Dou, Xia Wei, Zhi-Qiang Cai, Peiyao Chen, Yi Zhang, Yu-Xin Chen, Hou-Qun Yuan.  (2024)  Dual emissive Cl, N-codoped carbon dots for highly selective and sensitive detection of amphotericin B in milk and wastewater.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2024.111105]

2. Binwang Yang, Zhixiong Ye, Feiyu Lu, Jianna Yu, Jiaxu Liu, Xiuqing Zheng, Cheng Wang, Lian Duan, Zhijian Yang, Guoxing Jing, Wen Liu, Wenshan Li, Wenjie Liu.  (2024)  High Resolving Power Electrospray Ionization Ion Mobility Spectrometer Based on Fourier Deconvolution Multiplexing.  ANALYTICAL CHEMISTRY,      [PMID:39413295] [10.1021/acs.analchem.4c04549]