(+)-Vincristine

C46H56N4O10CAS 57-22-7824.97 g/mol

Open in Covalent MOL file
HONHNOOONOHOOOOON
AlcoholAlkeneAmideEsterEtherTertiary 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
Stereocentres
S, R, S, R, S, R, R, R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

Search the SDS library

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Vincristine sulfate2068-78-2Salt

Similar compounds

Vinblastine865-21-489 % similar Vinblastine sulfate143-67-984 % similar Anhydrovinblastine38390-45-372 % similar 4′-Deoxy-20′,20′-difluoro-5′-norvincaleukoblastine162652-95-168 % similar Vinorelbine71486-22-167 % similar Vindesine sulfate59917-39-467 % similar Navelbine125317-39-763 % similar Vindoline2182-14-150 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook