Ractopamic solution - 1.00mg/ml , CAS No.90274-24-1

CAS: 90274-24-1 Cat. No.: R121756 分子式: C₁₈H₂₃NO₃.HCl 分子量: 337.84 EC番号: 415-170-5

グレード＆純度 1.00mg/ml

Synonyms

CAS-90274-24-1 | CCG-213033 | Topmax 9 | 4-(1-Hydroxy-2-((4-(4-hydroxyphenyl)butan-2-yl)amino)ethyl)phenol hydrochloride | RACTOPAMINE HYDROCHLORIDE [GREEN BOOK] | Tiofuradeno [INN-Spanish] | Ethanone, 1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)-, O-((2,4

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

仕様

同義語

CAS-90274-24-1 | CCG-213033 | Topmax 9 | 4-(1-Hydroxy-2-((4-(4-hydroxyphenyl)butan-2-yl)amino)ethyl)phenol hydrochloride | RACTOPAMINE HYDROCHLORIDE [GREEN BOOK] | Tiofuradeno [INN-Spanish] | Ethanone, 1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)-, O-((2,4

仕様と純度

1.00mg/ml

保管条件

Store at 2-8°C,Protected from light

入荷

Wet ice

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。

名前と識別子

パブケム・シド

528773637

カノニカル・スマイル

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

異性体SMILES

CC(CCC1=CC=C(C=C1)O)NCC(C2=CC=C(C=C2)O)O.Cl

分子量

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
    • 分類 Phenols
      • Subclass 1-hydroxy-2-unsubstituted benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

関連ターゲット（非人間）

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

作用メカニズム

化学的性質と物理的性質

• 感度: Light sensitive
• 融点（°C）: 148 - 150°C
• 分子量: 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