Terbutaline solution - analytical standard, 1.00mg/ml in methanol , CAS No.23031-32-5

CAS: 23031-32-5 Cat. No.: T121759 Formula: C₁₂H₁₉NO₃·1/2H₂SO₄ Peso molecolare: 274.32 Numero EC: 245-386-3 PubChem CID: 441334

QUALITÀ & PUREZZA Analytical standard, 1.00mg/ml in methanol

Synonyms

Sulfacyl sodium salt | bis(5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol); sulfuric acid | CAS-23031-32-5 | Tox21_110602_1 | Bretine | NCGC00261811-01 | E1015 | NSC-757336 | Terbutaline (sulfate) | 1,3-Benzenediol, 5-(2-((1,1-dimethylethyl)amino)

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifiche

Sinonimi

Sulfacyl sodium salt | bis(5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol); sulfuric acid | CAS-23031-32-5 | Tox21_110602_1 | Bretine | NCGC00261811-01 | E1015 | NSC-757336 | Terbutaline (sulfate) | 1,3-Benzenediol, 5-(2-((1,1-dimethylethyl)amino)

Specifiche e purezza

analytical standard, 1.00mg/ml in methanol

Condizioni di conservazione di stoccaggio

Protected from light,Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Standard analitico

Nomi e identificatori

Sorrisi canonici

CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O.CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O.OS(=O)(=O)O

IUPAC Name

5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol;sulfuric acid

InChIKey

KFVSLSTULZVNPG-UHFFFAOYSA-N

INCHI

1S/2C12H19NO3.H2O4S/c2*1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8;1-5(2,3)4/h2*4-6,11,13-16H,7H2,1-3H3;(H2,1,2,3,4)

Isomeri SMILES

CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O.CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O.OS(=O)(=O)O

WGK Germania

3

RTECS

DN9000000

PubChem CID

441334

Peso molecolare

274.32

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass Benzenediols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Benzenediols
• Intermediate Tree Nodes: Not available
• Direct Parent: Resorcinols
• Alternative Parents: Aralkylamines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organic sulfate salts Benzene and substituted derivatives Organic sulfuric acids and derivatives Secondary alcohols 1,2-aminoalcohols Dialkylamines Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Not available
• Substituents: Resorcinol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Monocyclic benzene moiety - Organic sulfate salt - Organic sulfuric acid or derivatives - 1,2-aminoalcohol - Secondary alcohol - Secondary aliphatic amine - Secondary amine - Organic nitrogen compound - Aromatic alcohol - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Alcohol - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as resorcinols. These are compounds containing a resorcinol moiety, which is a benzene ring bearing two hydroxyl groups at positions 1 and 3.
• 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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Light sensitive
• Peso molecolare: 548.600 g/mol
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 8
• Exact Mass: 548.24 Da
• Monoisotopic Mass: 548.24 Da
• Topological Polar Surface Area: 228.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 286.000
• 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: 3

XLogP3