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

CAS: 23031-32-5 Cat. No.: T121759 Fórmula: C₁₂H₁₉NO₃·1/2H₂SO₄ Peso molecular: 274.32 Número CE: 245-386-3 PubChem CID: 441334

GRAU & PUREZA 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

Especificações

Sinónimos

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)

Especificações e pureza

analytical standard, 1.00mg/ml in methanol

Condições de armazenamento de armazenamento

Protected from light,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

Padrão analítico

Nomes e identificadores

Sorrisos canónicos

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)

SMILES isoméricas

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 Alemanha

3

RTECS

DN9000000

PubChem CID

441334

Peso molecular

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
• Descrição: 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

Alvos associados (humanos)

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

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

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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

LMNA Tbio Prelamin-A/C (36751 Activities)

Discover Target: LMNA

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

BLM Tchem Bloom syndrome protein (4248 Activities)

Discover Target: BLM

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

MPHOSPH8 Tbio M-phase phosphoprotein 8 (656 Activities)

Discover Target: MPHOSPH8

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

MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

Discover Target: MEN1

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

Alvos associados (não humanos)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: Light sensitive
• Peso molecular: 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