chempirical

(+)-Vincristine

C46H56N4O10CAS 57-22-7824.97 g/mol

Open in Covalent MOL file
OHNHNOOONOHOOOOON
AlcoholEsterTertiary Amine

Properties

Molecular formula
C46H56N4O10
Molar mass
824.97 g/mol
Exact mass
824.3996 Da
Melting point
218–220 °C
logP
3.52Crippen estimate
Polar surface area
171.2 Ų
H-bond donors / acceptors
3 / 12
Rotatable bonds
8

Identifiers

CAS number
57-22-7
SMILES
CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1
InChIKey
OGWKCGZFUXNPDA-CFWMRBGOSA-N
InChI
InChI=1S/C46H56N4O10/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

19 names · show all
  • Vincaleukoblastine, 22-oxo-
  • Leurocristine
  • 2H-3,7-Methanoazacycloundecino[5,4-b]indole, vincaleukoblastine deriv.
  • 1H-Indolizino[8,1-cd]carbazole, vincaleukoblastine deriv.
  • 22-Oxovincaleukoblastine
  • Vincristine
  • Vinkristin
  • VCR
  • LCR
  • Vincristin
  • Leucristine
  • OncoTCS
  • Alcrist
  • Cyctocristine
  • Biocristin
  • Vinlon
  • Vinstin
  • Vincryst
  • Oncocristin-AQ

Work with (+)-Vincristine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Elsewhere

PubChem CAS Common Chemistry NIST WebBook