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Lupanine perchlorate

CAT: 0013-GTR19223331-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19223331-01Size:1 mg
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Description
Lupanine perchlorate is a bioactive alkaloid salt used in pharmacological research. It serves as a chemical tool for studying nicotinic and neuromuscular blocking activities in various in vitro and in vivo experimental models.
CAS Number
7400-11-5
Field of Research
Neuroscience
Smiles
O=C1N2[C@@] ([C@]3 (C[C@@] (C2) ([C@]4 (N (C3) CCCC4) [H]) [H]) [H]) (CCC1) [H].Cl (=O) (=O) (=O) O
Molecular Formula
C15H25ClN2O5
Molecular Weight
348.82
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Lupanine perchlorate
CAS Number7400-11-5
PubChem CID133065679
IUPAC Name(1S,2R,9R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one;perchloric acid
Molecular FormulaC15H25ClN2O5
Molecular Weight348.82
Topological Polar Surface Area95
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Heavy Atom Count23
Formal Charge0
Complexity470
SMILES
C1CCN2C[C@@H]3C[C@@H]([C@@H]2C1)CN4[C@@H]3CCCC4=O.OCl(=O)(=O)=O
InChI
InChI=1S/C15H24N2O.ClHO4/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11;2-1(3,4)5/h11-14H,1-10H2;(H,2,3,4,5)/t11-,12+,13-,14+;/m0./s1
InChIKey
DVZQTPMQQXAHSQ-BHARVXRSSA-N
Chemical Structure
2D Structure
2D structure of Lupanine perchlorate
CAS: 7400-11-5
CID: 133065679
Formula: C15H25ClN2O5
MW: 348.82
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight348.82
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass348.1451996
Monoisotopic Mass348.1451996
Topological Polar Surface Area95 Ų
Heavy Atom Count23
Formal Charge0
Complexity470
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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