ChemSpider 2D Image | vincristine | C46H56N4O10

vincristine

  • Molecular FormulaC46H56N4O10
  • Average mass824.958 Da
  • Monoisotopic mass824.399658 Da
  • ChemSpider ID5758

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2'β)-22-Oxovincaleukoblastin [German] [ACD/IUPAC Name]
(2'β)-22-Oxovincaleukoblastine [ACD/IUPAC Name]
(2'β)-22-Oxovincaleukoblastine [French] [ACD/IUPAC Name]
200-318-1 [EINECS]
57-22-7 [RN]
Vincaleukoblastine, 22-oxo-, (2'β)- [ACD/Index Name]
vincaleukoblastine, 22-oxo-, (3β,4'β)-
vincristina [Spanish] [INN]
vincristine [INN] [Wiki]
vincristine [French] [INN]
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS002674 [DBID]
AIDS-002674 [DBID]
C07204 [DBID]
CCRIS 5763 [DBID]
CHEBI:28445 [DBID]
HSDB 3199 [DBID]
NCI60_026703 [DBID]
NCI-C04864 [DBID]
NSC 67574 [DBID]
NSC67574 [DBID]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Appearance:

      solid OU Chemical Safety Data (No longer updated) More details

    • Stability:

      Stable, but may be heat sensitive. Incompatible with strongoxidizing agents. OU Chemical Safety Data (No longer updated) More details

    • Toxicity:

      IVN-RAT LD50 1300 mg kg-1, IPR-MUS LD50 5.2 mg kg-1 OU Chemical Safety Data (No longer updated) More details
      Organic Compound; Amine; Ether; Amide; Ester; Drug; Antineoplastic Agent, Phytogenic; Tubulin Modulator; Metabolite; Synthetic Compound Toxin, Toxin-Target Database T3D4016

    • Safety:

      L01CA02 Wikidata Q408977
      Safety glasses, gloves, good ventilation. OU Chemical Safety Data (No longer updated) More details

    • Chemical Class:

      A vinca alkaloid with formula C46H56N4O10 found in the Madagascar periwinkle, Catharanthus roseus. It is used (commonly as the corresponding sulfate salt)as a chemotherapy drug for the treatment of le ukaemia, lymphoma, myeloma, breast cancer and head and neck cancer. ChEBI CHEBI:28445

    • Compound Source:

      Calotropis gigantea PlantCyc CPD-19894
      Catharanthus roseus PlantCyc CPD-19894
      Linum usitatissimum PlantCyc CPD-19894
      vindoline and vinblastine biosynthesis PlantCyc CPD-19894, CPD-19894, CPD-19894

    • Bio Activity:

      vinblastine + oxygen -> vincristine + H2O + 2 H+ PlantCyc CPD-19894, CPD-19894, CPD-19894

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.677
Molar Refractivity: 221.1±0.4 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 0.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.12
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 41.31
ACD/KOC (pH 7.4): 349.10
Polar Surface Area: 171 Å2
Polarizability: 87.6±0.5 10-24cm3
Surface Tension: 74.1±5.0 dyne/cm
Molar Volume: 586.9±5.0 cm3

Click to predict properties on the Chemicalize site


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