(-)-Sparteine Sulfate pentahydrate - Moligand™, ≥97% , CAS No.6160-12-9

CAS: 6160-12-9 Cat. No.: S413298 Molecular Weight: 422.54 EC Number: 629-189-3

GRADE & PURITY Moligand™, ≥97%

Synonyms

Q27279227 | GS-0932 | Sparteinsulfat | (1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.0^{2,7}.0^{10,15}]heptadecane sulfuric acid pentahydrate | SPARTEINUM SULPHURICUM [HPUS] | (-)-Sparteine (sulfate pentahydrate) | Sparteine sulphate | SPARTEINE SULFATE [WHO-

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

(-)-Sparteine sulfate pentahydrate is a class 1a antiarrhythmic agent and a sodium channel blocker.

Specifications

Synonyms

Q27279227 | GS-0932 | Sparteinsulfat | (1S, 2R, 9S, 10S)-7, 15-diazatetracyclo[7.7.1.0^{2, 7}.0^{10, 15}]heptadecane sulfuric acid pentahydrate | SPARTEINUM SULPHURICUM [HPUS] | (-)-Sparteine (sulfate pentahydrate) | Sparteine sulphate | SPARTEINE SULFATE [WHO-

Specifications & Purity

Moligand™, ≥97%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥97%

Product Properties

• ALogP: 0.72

Names and Identifiers

• Pubchem Sid: 504768879
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768879
• Canonical Smiles: C1CCN2CC3CC(C2C1)CN4C3CCCC4.O.O.O.O.O.OS(=O)(=O)O
• IUPAC Name: (1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;sulfuric acid;pentahydrate
• InChIKey: WNSDDGBLIALDPB-LIELMIIZSA-N
• INCHI: 1S/C15H26N2.H2O4S.5H2O/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17;1-5(2,3)4;;;;;/h12-15H,1-11H2;(H2,1,2,3,4);5*1H2/t12-,13-,14-,15+;;;;;;/m0....../s1
• Isomeric SMILES: C1CCN2C[C@@H]3C[C@H]([C@H]2C1)CN4[C@H]3CCCC4.O.O.O.O.O.OS(=O)(=O)O
• Molecular Weight: 422.54

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Class Lupin alkaloids
      • Subclass Sparteine, lupanine, and related alkaloids

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Class: Lupin alkaloids
• Subclass: Sparteine, lupanine, and related alkaloids
• Intermediate Tree Nodes: Not available
• Direct Parent: Sparteine, lupanine, and related alkaloids
• Alternative Parents: Quinolizidines Piperidines Organic sulfuric acids Trialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Sparteine-lupanine skeleton - Quinolizidine - Sulfuric acid - Piperidine - Organic sulfuric acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Amine - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as sparteine, lupanine, and related alkaloids. These are alkaloids with a structure based on either sparteine, lupanine, or derivatives thereof. These are tetracyclic compounds made of two fused quinolizidine ring systems.
• 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

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro
• Molecular Weight: 422.500 g/mol
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 0
• Exact Mass: 422.23 Da
• Monoisotopic Mass: 422.23 Da
• Topological Polar Surface Area: 94.500 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 344.000
• 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: 7

XLogP3