Vinblastine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 474
Total Number of Articles : 930
PubChem 133126830
Molecular Formula

C46H58N4O9

SMILES

CC[C@]1(C[C@H]2C[C@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@@]78CCN9C7[C@](C=CC9)([C@@H]([C@](C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O

InChI

InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37?,38?,39-,42+,43-,44-,45+,46+/m0/s1

synonyms
  • vinblastine
  • 865-21-4
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Properties
Property Value
MW 811.0 g/mol
HBD 3
HBA 12
Rotatable Bond Count 10
Exact Mass 810.42037944 g/mol
Monoisotopic Mass 810.42037944 g/mol
Heavy Atom Count 59
Isotope Atom Count 0
Atom Stereo Count 9
Covalent Unit Count 1
Complexity 1700
xlogp 3.7
Topological Polar Surface Area 154