Atropine sulfate - 10mM in DMSO , CAS No.55-48-1

CAS: 55-48-1 Cat. No.: A424722 Fórmula: C₃₄H₄₈N₂O₁₀S Peso molecular: 676.82 Número EC: 200-235-0

GRADE & PURITY 10mM in DMSO

Synonyms

Atropine sulfate|55-48-1|Atropette|Tropintran|Atropisol|Sulfatropinol|Atropinsulfat|KAE4PSB0Z3|Atropine sulphate|Atropine sulfate anhydrous|DTXSID3049419|Corbella|Davurtrop|Eyesule|Ryuato|Atropin siran|Atropine sulfate anhydrous (2:1) salt|Ichtho-bellol|L

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Sinónimos

Atropine sulfate | 55-48-1 | Atropette | Tropintran | Atropisol | Sulfatropinol | Atropinsulfat | KAE4PSB0Z3 | Atropine sulphate | Atropine sulfate anhydrous | DTXSID3049419 | Corbella | Davurtrop | Eyesule | Ryuato | Atropin siran | Atropine sulfate anhydrous (2:1) salt | Ichtho-bellol | L

Especificaciones y pureza

10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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Nombres e identificadores

Pubchem Sid

528774150

Sonrisas canónicas

CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.OS(=O)(=O)O

IUPAC Name

[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate;sulfuric acid

InChIKey

HOBWAPHTEJGALG-JKCMADFCSA-N

INCHI

1S/2C17H23NO3.H2O4S/c2*1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;1-5(2,3)4/h2*2-6,13-16,19H,7-11H2,1H3;(H2,1,2,3,4)/t2*13-,14+,15?,16?;

Isómeros SMILES

CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.OS(=O)(=O)O

Peso molecular

676.82

Reaxy-Rn

5720678

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5720678&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Clase Tropane alkaloids

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Clase: Tropane alkaloids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tropane alkaloids
• Alternative Parents: Beta hydroxy acids and derivatives Piperidines Benzene and substituted derivatives Organic sulfate salts N-alkylpyrrolidines Quaternary ammonium salts Organic sulfuric acids and derivatives Trialkylamines Amino acids and derivatives Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic zwitterions Organopnictogen compounds Primary alcohols
• Molecular Framework: Not available
• Substituents: Tropane alkaloid - Beta-hydroxy acid - Monocyclic benzene moiety - Hydroxy acid - Piperidine - Organic sulfate salt - Benzenoid - N-alkylpyrrolidine - Organic sulfuric acid or derivatives - Pyrrolidine - Quaternary ammonium salt - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organopnictogen compound - Amine - Primary alcohol - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Alcohol - Organic salt - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as tropane alkaloids. These are organic compounds containing the nitrogenous bicyclic alkaloid parent N-Methyl-8-azabicyclo[3.2.1]octane.
• 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

Propiedades químicas y físicas

• Punto de fusión (°C): 50.0° C
• Peso molecular: 676.800 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 10
• Exact Mass: 676.303 Da
• Monoisotopic Mass: 676.303 Da
• Topological Polar Surface Area: 183.000 Ų
• Heavy Atom Count: 47
• Formal Charge: 0
• Complexity: 434.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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

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