ChemSpider 2D Image | (+)-Vinblastine | C46H58N4O9

(+)-Vinblastine

  • Molecular FormulaC46H58N4O9
  • Average mass810.974 Da
  • Monoisotopic mass810.420349 Da
  • ChemSpider ID12773
  • defined stereocentres - 9 of 9 defined stereocentres


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Featured data source



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

(+)-Vinblastine
(3aR-(3aα,4β,5β,5aβ,9(3R*,5S*,7R*,9S*),10bR*,13aα))-methyl 4-(acetyloxy)-3a-ethyl-9-(5-ethyl-1,4,5,6,7,8,9,10-octahydro-5-hydroxy-9-(methoxycarbonyl)-2H-3,7-methanoazacycloundecino(5,4-b)indol-9-yl)-3a,4,5,5a,6,11,12,13a-octahydro-5-hydroxy-8-methoxy-6-methyl-1H-indolizino(8,1-cd)carbazole-5-carboxylate
1H-Indolizino(8,1-cd)carbazole-5-carboxylic acid, 4-(acetyloxy)-3a-ethyl-9-(5-ethyl-1,4,5,6,7,8,9,10-octahydro-5-hydroxy-9-(methoxycarbonyl)-2H-3,7-methanoazacycloundecino(5,4-b)indol-9-yl)-3a,4,5,5a,6,11,12,13a-octahydro-5-hydroxy-8-methoxy-6-methyl-, methyl ester, (3aR-(3aα,4β,5β,5aβ,9(3R*,5S*,7R*,9S*),10bR*,13aα))-
865-21-4 [RN]
UNII-5V9KLZ54CY
vinblastina [Spanish] [INN]
vinblastine [French] [INN]
Vinblastine [INN] [Wiki]
vinblastinum [Latin] [INN]
Vincaleukoblastin [German] [ACD/IUPAC Name]
More...

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

HSDB 3263 [DBID]
nchembio873-comp22 [DBID]
NCI-C04842 [DBID]
NSC 47842 [DBID]
NSC 49842 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-17418
      Cell Cycle/DNA Damage; MedChem Express HY-17418
      Microtubule/Tubulin MedChem Express HY-17418
      Vinblastine can inhibit the formation of microtubule, it also inhibit nAChR(IC50=8.9 uM). MedChem Express
      Vinblastine can inhibit the formation of microtubule, it also inhibit nAChR(IC50=8.9 uM).; IC50 Value: VIN showed EC50 values of 15 ug/ml, against P815 mastocytoma cells in-vitro[1]. MedChem Express HY-17418

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.671
Molar Refractivity: 220.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 3.12
ACD/KOC (pH 5.5): 15.93
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 279.88
ACD/KOC (pH 7.4): 1428.71
Polar Surface Area: 154 Å2
Polarizability: 87.5±0.5 10-24cm3
Surface Tension: 71.0±5.0 dyne/cm
Molar Volume: 590.0±5.0 cm3

Click to predict properties on the Chemicalize site





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