Plexonal - 10mM in DMSO , CAS No.51-34-3

CAS: 51-34-3 Cat. No.: P424411 Formula: C₁₇H₂₁NO₄ Molecular Weight: 303.35 EC Number: 200-090-3 PubChem CID: 3000322

GRADE & PURITY 10mM in DMSO

Synonyms

scopolamine|Hyoscine|(-)-Hyoscine|51-34-3|Scopine (-)-tropate|Scopine tropate|(-)-Scopolamine|6,7-Epoxytropine tropate|Hyosol|Atrochin|Atroquin|Isopto Hyoscine|Skopolamin|Transderm-Scop|l-Scopolamine|Epoxytropine tropate|Scopolamine hydrobromide|6-beta,7-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Product Describtion:

Scopolamine (Skopolamin) is a tropane alkaloid derived from plants of the nightshade family, specifically Hyoscyamus niger and Atropa belladonna, with anticholinergic, antiemetic and antivertigo properties.

Product Application:

Scopolamine is an acetylcholine antagonist. Used in treatment of motion sickness; antiemetic; antispasmodic; mydriatic; preanesthetic medicant.

Specifications

Synonyms

scopolamine | Hyoscine | (-)-Hyoscine | 51-34-3 | Scopine (-)-tropate | Scopine tropate | (-)-Scopolamine | 6,7-Epoxytropine tropate | Hyosol | Atrochin | Atroquin | Isopto Hyoscine | Skopolamin | Transderm-Scop | l-Scopolamine | Epoxytropine tropate | Scopolamine hydrobromide | 6-beta,7-

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Product Line

P424411-1ml

Names and Identifiers

Pubchem Sid

528769267

Canonical Smiles

CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4

IUPAC Name

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

InChIKey

STECJAGHUSJQJN-USLFZFAMSA-N

INCHI

1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11?,12-,13-,14+,15-,16+/m1/s1

Isomeric SMILES

CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4

PubChem CID

3000322

Molecular Weight

303.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Hydroxy acids and derivatives
      • Subclass Beta hydroxy acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Hydroxy acids and derivatives
• Subclass: Beta hydroxy acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Beta hydroxy acids and derivatives
• Alternative Parents: Piperidines Benzene and substituted derivatives Morpholines N-alkylpyrrolidines Trialkylamines Amino acids and derivatives Carboxylic acid esters Azacyclic compounds Oxacyclic compounds Dialkyl ethers Epoxides Monocarboxylic acids and derivatives Primary alcohols Carbonyl compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Beta-hydroxy acid - Monocyclic benzene moiety - Morpholine - Oxazinane - Piperidine - N-alkylpyrrolidine - Benzenoid - Pyrrolidine - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Monocarboxylic acid or derivatives - Primary alcohol - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Amine - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.
• 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

Associated Targets(Human)

CHRM3 Tclin Muscarinic acetylcholine receptor M3 (0 Activities)

Discover Target: CHRM3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CHRM4 Tclin Muscarinic acetylcholine receptor M4 (0 Activities)

Discover Target: CHRM4

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CHRM2 Tclin Muscarinic acetylcholine receptor M2 (0 Activities)

Discover Target: CHRM2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CHRM1 Tclin Muscarinic acetylcholine receptor M1 (0 Activities)

Discover Target: CHRM1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Chemical and Physical Properties

• x_flash_point_drop_centigrade: 232.2ºC
• x_boil_point_char: 460.3ºC at 760 mmHg
• x_melt_point_char: 59ºC
• Molecular Weight: 303.350 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 303.147 Da
• Monoisotopic Mass: 303.147 Da
• Topological Polar Surface Area: 62.300 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 418.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• 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