cabazitaxel

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 101
Total Number of Articles : 131
PubChem 9854073
Molecular Formula

C45H57NO14

SMILES

CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)OC)C)OC

InChI

InChI=1S/C45H57NO14/c1-24-28(57-39(51)33(48)32(26-17-13-11-14-18-26)46-40(52)60-41(3,4)5)22-45(53)37(58-38(50)27-19-15-12-16-20-27)35-43(8,36(49)34(55-10)31(24)42(45,6)7)29(54-9)21-30-44(35,23-56-30)59-25(2)47/h11-20,28-30,32-35,37,48,53H,21-23H2,1-10H3,(H,46,52)/t28-,29-,30+,32-,33+,34+,35-,37-,43+,44-,45+/m0/s1

synonyms
  • CABAZITAXEL
  • 183133-96-2
  • Jevtana
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Properties
Property Value
MW 835.9 g/mol
HBD 3
HBA 14
Rotatable Bond Count 15
Exact Mass 835.37790549 g/mol
Monoisotopic Mass 835.37790549 g/mol
Heavy Atom Count 60
Isotope Atom Count 0
Atom Stereo Count 11
Covalent Unit Count 1
Complexity 1690
xlogp 2.7
Topological Polar Surface Area 202