ChemSpider 2D Image | ICI-164384 | C34H55NO3

ICI-164384

  • Molecular FormulaC34H55NO3
  • Average mass525.805 Da
  • Monoisotopic mass525.418213 Da
  • ChemSpider ID94580

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

84LT43726C
ICI164,384
ICI-164384 [Wiki]
N-BUTYL-11-[(7R,8R,9S,13S,14S,17S)-3,17-DIHYDROXY-13-METHYL-7,8,9,11,12,13,14,15,16,17-DECAHYDRO-6H-CYCLOPENTA[A]PHENANTHREN-7-YL]-N-METHYLUNDECANAMIDE
N-Butyl-11-[(7α,17β)-3,17-dihydroxyestra-1,3,5(10)-trien-7-yl]-N-methylundecanamid [German] [ACD/IUPAC Name]
N-Butyl-11-[(7α,17β)-3,17-dihydroxyestra-1,3,5(10)-trien-7-yl]-N-methylundecanamide [ACD/IUPAC Name]
N-Butyl-11-[(7α,17β)-3,17-dihydroxyestra-1,3,5(10)-trién-7-yl]-N-méthylundécanamide [French] [ACD/IUPAC Name]
N-n-Butyl-N-methyl-11-[3,17β-dihydroxyestra-1,3,5(10)-trien-7α-yl]undecanamide
Undecanamide, N-butyl-11-[(7α,17β)-3,17-dihydroxyestra-1,3,5(10)-trien-7-yl]-N-methyl- [ACD/Index Name]
UNII:84LT43726C
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

ICI 164384 [DBID]
C14758 [DBID]
  • Miscellaneous

    • Chemical Class:

      A 3-hydroxy steroid that is 17beta-estradiol substituted by a 11-[butyl(methyl)amino]-11-oxoundecyl group at position 7R. It is a steroidal antioestrogen that inhibits the cell proliferation of breast -carcinoma cell lines. ChEBI CHEBI:40710

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

Density: 1.0±0.1 g/cm3
Boiling Point: 663.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.5±3.0 kJ/mol
Flash Point: 355.1±31.5 °C
Index of Refraction: 1.535
Molar Refractivity: 157.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 8.97
ACD/LogD (pH 5.5): 7.85
ACD/BCF (pH 5.5): 543780.44
ACD/KOC (pH 5.5): 443593.38
ACD/LogD (pH 7.4): 7.85
ACD/BCF (pH 7.4): 543076.38
ACD/KOC (pH 7.4): 443019.03
Polar Surface Area: 61 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 505.7±3.0 cm3

Click to predict properties on the Chemicalize site


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