Scopine - ≥98% , CAS No.498-45-3

CAS: 498-45-3 Cat. No.: S129883 Fórmula: C₈H₁₃NO₂ Peso molecular: 155.19 PubChem CID: 1274465

GRADE & PURITY ≥98%

Synonyms

3-Oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol, 9-methyl-, (1alpha,2beta,4beta,5alpha,7alpha)- | MFCD06658282 | PD087721 | CCG-266261 | FIMXSEMBHGTNKT-UPGAHCIJSA-N | Q7434451 | SW219096-1 | 1.ALPHA.H,5.ALPHA.H-TROPAN-3.ALPHA.-OL, 6.BETA.,7.BETA.-EPOXY- | s2545

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Descripción general

Scopine is the metabolite of anisodine, which is a α1-adrenergic receptor agonist and used in the treatment of acute circulatory shock.
A metabolite of scopolamine

Specifications

Sinónimos

3-Oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol, 9-methyl-, (1alpha,2beta,4beta,5alpha,7alpha)- | MFCD06658282 | PD087721 | CCG-266261 | FIMXSEMBHGTNKT-UPGAHCIJSA-N | Q7434451 | SW219096-1 | 1.ALPHA.H,5.ALPHA.H-TROPAN-3.ALPHA.-OL, 6.BETA.,7.BETA.-EPOXY- | s2545

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Scopine is a tropane alkaloid and a metabolite of scoplamone.Tropane Alkaloid. Metabolite of scopolamine. Active in vivo and in vitro .

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Protected from light

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

AGONIST

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

504760454

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760454

Sonrisas canónicas

CN1C2CC(CC1C3C2O3)O

IUPAC Name

(1R,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol

InChIKey

FIMXSEMBHGTNKT-UPGAHCIJSA-N

INCHI

1S/C8H13NO2/c1-9-5-2-4(10)3-6(9)8-7(5)11-8/h4-8,10H,2-3H2,1H3/t4?,5-,6+,7-,8+

Isómeros SMILES

CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)O

PubChem CID

1274465

Peso molecular

155.19

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Morpholines
• Alternative Parents: Piperidines N-alkylpyrrolidines Trialkylamines Secondary alcohols Cyclic alcohols and derivatives Oxacyclic compounds Epoxides Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Morpholine - Piperidine - N-alkylpyrrolidine - Cyclic alcohol - Pyrrolidine - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Oxirane - Ether - Oxacycle - Azacycle - Organonitrogen compound - Organic oxygen compound - Amine - Organooxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Alcohol - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as morpholines. These are organic compounds containing a morpholine moiety, which consists of a six-member aliphatic saturated ring with the formula C4H9NO, where the oxygen and nitrogen atoms lie at positions 1 and 4, respectively.
• 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

• Solubilidad: DMSO 31 mg/mL Water 31 mg/mL Ethanol 31 mg/mL
• Sensibilidad: Light sensitive
• Peso molecular: 155.190 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 155.095 Da
• Monoisotopic Mass: 155.095 Da
• Topological Polar Surface Area: 36.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 179.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1