ChemSpider 2D Image | elomotecan | C29H32ClN3O4

elomotecan

  • Molecular FormulaC29H32ClN3O4
  • Average mass522.035 Da
  • Monoisotopic mass521.208130 Da
  • ChemSpider ID187490
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(5R)-9-Chlor-5-ethyl-5-hydroxy-10-methyl-12-[(4-methyl-1-piperidinyl)methyl]-1,4,5,13-tetrahydro-3H,15H-oxepino[3',4':6,7]indolizino[1,2-b]chinolin-3,15-dion [German] [ACD/IUPAC Name]
(5R)-9-Chloro-5-éthyl-5-hydroxy-10-méthyl-12-[(4-méthyl-1-pipéridinyl)méthyl]-1,4,5,13-tétrahydro-3H,15H-oxépino[3',4':6,7]indolizino[1,2-b]quinoléine-3,15-dione [French] [ACD/IUPAC Name]
(5R)-9-Chloro-5-ethyl-5-hydroxy-10-methyl-12-[(4-methyl-1-piperidinyl)methyl]-1,4,5,13-tetrahydro-3H,15H-oxepino[3',4':6,7]indolizino[1,2-b]quinoline-3,15-dione [ACD/IUPAC Name]
220998-10-7 [RN]
3H,15H-Oxepino[3',4':6,7]indolizino[1,2-b]quinoline-3,15-dione, 9-chloro-5-ethyl-1,4,5,13-tetrahydro-5-hydroxy-10-methyl-12-[(4-methyl-1-piperidinyl)methyl]-, (5R)- [ACD/Index Name]
8589
elomotecan [INN]
elomotecán [Spanish] [INN]
élomotécan [French] [INN]
elomotecanum [Latin] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

44KA9Q75GT [DBID]
UNII:44KA9Q75GT [DBID]
UNII-44KA9Q75GT [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 821.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.1±3.0 kJ/mol
Flash Point: 450.5±34.3 °C
Index of Refraction: 1.684
Molar Refractivity: 141.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 7.69
ACD/KOC (pH 5.5): 44.34
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 285.59
ACD/KOC (pH 7.4): 1647.40
Polar Surface Area: 83 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 69.6±5.0 dyne/cm
Molar Volume: 373.3±5.0 cm3

Click to predict properties on the Chemicalize site






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