ChemSpider 2D Image | (4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-Dimethyl-2-oxooctadecahydronaphtho[2,1-f]quinolin-8-yl 2-[bis(2-chloroethyl)amino]benzoate | C30H42Cl2N2O3

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

  • Molecular FormulaC30H42Cl2N2O3
  • Average mass549.572 Da
  • Monoisotopic mass548.257263 Da
  • ChemSpider ID140700

  • 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-2-[bis(2-chlorethyl)amino]benzoat [German] [ACD/IUPAC Name]
(4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-Dimethyl-2-oxooctadecahydronaphtho[2,1-f]quinolin-8-yl 2-[bis(2-chloroethyl)amino]benzoate [ACD/IUPAC Name]
2-[Bis(2-chloroéthyl)amino]benzoate de (4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-diméthyl-2-oxooctadécahydronaphto[2,1-f]quinoléin-8-yle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[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]
[(4As,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl] 2-[bis(2-chloroethyl)amino]benzoate
157757-66-9 [RN]
17a-Aza-D-homoandrostan-17-one, 3-((2-(bis(2-chloroethyl)amino)benzoyl)oxy)-, (3-β,5-α)-
3-((2-(Bis(2-chloroethyl)amino)benzoyl)oxy)-, (3β,5α)-17a-aza-D-homoandrostan-17-one
3-HYDROXY-13-AMINO-13,17-SECO-5A-ANDROSTAN-17-OIC-13,17-LACTAM 2-N,N-BIS(2-CHLOROETHYL)AMINOBENZOATE
3-hydroxy-13-amino-13,17-seco-5α-androstan-17-oic-13,17-lactam 2-N,N-bis(2-chloroethyl)aminobenz

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

Density: 1.2±0.1 g/cm3
Boiling Point: 680.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.8±3.0 kJ/mol
Flash Point: 365.1±31.5 °C
Index of Refraction: 1.583
Molar Refractivity: 148.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.07
ACD/LogD (pH 5.5): 6.20
ACD/BCF (pH 5.5): 30315.23
ACD/KOC (pH 5.5): 56136.29
ACD/LogD (pH 7.4): 6.20
ACD/BCF (pH 7.4): 30391.31
ACD/KOC (pH 7.4): 56277.18
Polar Surface Area: 59 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 51.2±5.0 dyne/cm
Molar Volume: 445.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement