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(+)-Lupanine perchlorate

CAT: 0572-TRC-L474830-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-L474830-10MGSize:10 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
Synonyms
7,14-Methano-2H,11H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-11-one, dodecahydro-, (7S,7aR,14S,14aS)-, perchlorate (1:1); 7,14-Methano-2H,11H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-11-one, dodecahydro-, (7S,7aR,14S,14aS)-, monoperchlorate (9CI); 7,14-Methano-2H,11H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-11-one, dodecahydro-, [7S-(7α,7aα,14α,14aβ)]-, monoperchlorate; Lupanine, monoperchlorate (8CI); Lupanine perchlorate; (7S,7aR,14S,14aS)-Dodecahydro-7,14-methano-2H,11H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-11-one perchlorate; (+)-2-Oxosparteine perchlorate; (+)-Lupanine perchlorate; 2-Oxosparteine perchlorate; D-(+)-Lupanine perchlorate; D-Lupanine perchlorate; Lupanin perchlorate; d-Lupanine perchlorate
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
OCl(=O)(=O)=O.O=C1CCC[C@@H]2[C@H]3C[C@@H](CN12)[C@@H]4CCCCN4C3
Molecular Formula
C15 H24 N2 O . Cl H O4
Molecular Weight
348.82
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
Shipping Conditions
Room Temperature
Storage Conditions
-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...
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