KAR

3"-(BETA-CHLOROETHYL)-2",4"-DIOXO-3, 5"-SPIRO-OXAZOLIDINO-4-DEACETOXY-VINBLASTINE


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Chemical Component Summary

Name3"-(BETA-CHLOROETHYL)-2",4"-DIOXO-3, 5"-SPIRO-OXAZOLIDINO-4-DEACETOXY-VINBLASTINE
Identifiersn/a
FormulaC46 H56 Cl N5 O7
Molecular Weight826.419
TypeNON-POLYMER
Isomeric SMILESCC[C@@]1(C[C@H]2C[C@@](c3c(c4ccccc4[nH]3)CC[N@](C2)C1)(c5cc6c(cc5OC)[N@]([C@@H]7[C@]68CC[N@]9[C@H]8[C@](C[C@]71C(=O)N(C(=O)O1)CCCl)(C=CC9)CC)C)C(=O)OC)O
InChIInChI=1S/C46H56ClN5O7/c1-6-42-14-10-17-51-19-15-44(37(42)51)31-21-32(35(57-4)22-34(31)49(3)38(44)46(26-42)39(53)52(20-16-47)41(55)59-46)45(40(54)58-5)24-28-23-43(56,7-2)27-50(25-28)18-13-30-29-11-8-9-12-33(29)48-36(30)45/h8-12,14,21-22,28,37-38,48,56H,6-7,13,15-20,23-27H2,1-5H3/t28-,37-,38+,42-,43-,44+,45-,46+/m0/s1
InChIKeyNUXKIZBEPYVRKP-RWBWKAGLSA-N

Chemical Details

Formal Charge0
Atom Count115
Chiral Atom Count8
Bond Count124
Aromatic Bond Count16

Drug Info: DrugBank

DrugBank IDDB02868 
NameDeacetoxyvinzolidine
Groups experimental
SynonymsDeacetoxyvinzolidine
Categories
  • Alkaloids
  • Antineoplastic Agents
  • Heterocyclic Compounds, Fused-Ring
  • Indole Alkaloids
  • Indoles
CAS number165659-77-8

Drug Targets

NameTarget SequencePharmacological ActionActions
CalmodulinMADQLTEEQIAEFKEAFSLFDKDGDGTITTKELGTVMRSLGQNPTEAELQ...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 157684