Reserpine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 378
Total Number of Articles : 646
PubChem 5770
Molecular Formula

C33H40N2O9

SMILES

CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC

InChI

InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1

synonyms
  • reserpine
  • 50-55-5
  • Serpalan
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Properties
Property Value
MW 608.7 g/mol
HBD 1
HBA 10
Rotatable Bond Count 10
Exact Mass 608.27338086 g/mol
Monoisotopic Mass 608.27338086 g/mol
Heavy Atom Count 44
Isotope Atom Count 0
Atom Stereo Count 6
Covalent Unit Count 1
Complexity 1000
xlogp 4
Topological Polar Surface Area 118