ChemSpider 2D Image | (4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-Dimethyl-2-oxooctadecahydronaphtho[2,1-f]quinolin-8-yl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate | C33H48Cl2N2O3

(4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-Dimethyl-2-oxooctadecahydronaphtho[2,1-f]quinolin-8-yl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate

  • Molecular FormulaC33H48Cl2N2O3
  • Average mass591.652 Da
  • Monoisotopic mass590.304199 Da
  • ChemSpider ID111799

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-Dimethyl-2-oxooctadecahydronaphtho[2,1-f]chinolin-8-yl-4-{4-[bis(2-chlorethyl)amino]phenyl}butanoat [German] [ACD/IUPAC Name]
(4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-Dimethyl-2-oxooctadecahydronaphtho[2,1-f]quinolin-8-yl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate [ACD/IUPAC Name]
4-{4-[Bis(2-chloroéthyl)amino]phényl}butanoate de (4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-diméthyl-2-oxooctadécahydronaphto[2,1-f]quinoléin-8-yle [French] [ACD/IUPAC Name]
Benzenebutanoic acid, 4-[bis(2-chloroethyl)amino]-, (4aS,4bR,6aS,8S,10aS,10bS,12aS)-octadecahydro-10a,12a-dimethyl-2-oxonaphtho[2,1-f]quinolin-8-yl ester [ACD/Index Name]
17a-Aza-D-homoandrostan-17-one, 3-(4-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxobutoxy)-, (3β,5α)-
3-Hydroxy-13,17-secoandrostan-17-oic-13,17-lactam (4-(bis(2-chloroethyl)amino)phenyl)butyrate
68426-41-5 [RN]
Hsal-chlorambucil

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

Density: 1.2±0.1 g/cm3
Boiling Point: 717.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 387.5±32.9 °C
Index of Refraction: 1.573
Molar Refractivity: 162.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.83
ACD/LogD (pH 5.5): 6.78
ACD/BCF (pH 5.5): 81035.84
ACD/KOC (pH 5.5): 109311.84
ACD/LogD (pH 7.4): 6.84
ACD/BCF (pH 7.4): 92491.56
ACD/KOC (pH 7.4): 124764.84
Polar Surface Area: 59 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 49.9±5.0 dyne/cm
Molar Volume: 493.5±5.0 cm3

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