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Sophocarpine 25mg

CAT: 0628-A10857-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A10857-25Size:25 mg
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CAS Number
6483-15-4

Chemical Information

(-)-Sophocarpine

Sophocarpine is an alkaloid.

CAS Number6483-15-4
PubChem CID115269
IUPAC Name(1R,2R,9S,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one
Molecular FormulaC15H22N2O
Molecular Weight246.35
XLogP1.7
Topological Polar Surface Area23.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity392
SMILES
C1C[C@H]2CN3[C@H](CC=CC3=O)[C@@H]4[C@H]2N(C1)CCC4
InChI
InChI=1S/C15H22N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h1,7,11-13,15H,2-6,8-10H2/t11-,12+,13+,15-/m0/s1
InChIKey
AAGFPTSOPGCENQ-JLNYLFASSA-N
Chemical Structure
2D Structure
2D structure of (-)-Sophocarpine
CAS: 6483-15-4
CID: 115269
Formula: C15H22N2O
MW: 246.35
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight246.35
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass246.173213330
Monoisotopic Mass246.173213330
Topological Polar Surface Area23.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity392
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes