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(-) -Sparteine Sulfate

CAT: 1568-C11134Size: 1 mgDry Ice: NoHazardous: No
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CAT#:1568-C11134Size:1 mg
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CAS Number
6160-12-9
SKU
C11134-1mg
Target
Sodium Channel
Applications
Transmembrane Transporters
Smiles
C1CCN2CC3CC (C2C1) CN4C3CCCC4.O.O.O.O.O.OS (=O) (=O) O
Molecular Formula
C15H26N2.H2SO4.5H2O
Additionnal Information
Sparteine Sulfate, a quinolizidine alkaloid, is the sulfate form of sparteini, which is a sodium channel blocker used as an oxytocic and an anti-arrhythmia agent.
Storage Conditions
3 years -20°C powder

Chemical Information

Sparteine Sulfate

See also: Sparteine (has active moiety).

CAS Number6160-12-9
PubChem CID72325
IUPAC Name(1R,2S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;sulfuric acid;pentahydrate
Molecular FormulaC15H38N2O9S
Molecular Weight422.5
Topological Polar Surface Area94.5
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count0
Heavy Atom Count27
Formal Charge0
Complexity344
SMILES
C1CCN2C[C@H]3C[C@@H]([C@H]2C1)CN4[C@H]3CCCC4.O.O.O.O.O.OS(=O)(=O)O
InChI
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+;;;;;;/m1....../s1
InChIKey
WNSDDGBLIALDPB-HTZKOJAYSA-N
Chemical Structure
2D Structure
2D structure of Sparteine Sulfate
CAS: 6160-12-9
CID: 72325
Formula: C15H38N2O9S
MW: 422.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight422.5
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count0
Exact Mass422.22980197
Monoisotopic Mass422.22980197
Topological Polar Surface Area94.5 Ų
Heavy Atom Count27
Formal Charge0
Complexity344
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count7
Compound Is CanonicalizedYes