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Lupanine perchlorate

CAT: 0931-T32964-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T32964-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
7400-11-5
Target
Others, AChR
Related Pathways
Others, Neuroscience
Bioactivity
Lupanine perchlorate is a bioactive chemical.
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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
Loading 3D structure...
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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