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

Visão geral

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

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

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

Condições de armazenamento de armazenamento

Store at 2-8°C,Protected from light

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

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%

Nomes e identificadores

Pubchem Sid

504760454

Pubchem Sid Url

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

Sorrisos canónicos

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+

SMILES isoméricas

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
    • Classe Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: DMSO 31 mg/mL Water 31 mg/mL Ethanol 31 mg/mL
• Sensibilidade: 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