raubasine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 9
Total Number of Articles : 10
PubChem 20056669
Molecular Formula

C21H24N2O3

SMILES

CC1[C@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)NC5=CC=CC=C45

InChI

InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3/t12?,15-,16+,19-/m0/s1

synonyms
  • Raubasine
  • Ajmalicine, 97%
  • SCHEMBL17088329
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Properties
Property Value
MW 352.4 g/mol
HBD 1
HBA 4
Rotatable Bond Count 2
Exact Mass 352.17869263 g/mol
Monoisotopic Mass 352.17869263 g/mol
Heavy Atom Count 26
Isotope Atom Count 0
Atom Stereo Count 4
Covalent Unit Count 1
Complexity 606
xlogp 2.7
Topological Polar Surface Area 54.6