ChemSpider 2D Image | Tirilazad | C38H52N6O2

Tirilazad

  • Molecular FormulaC38H52N6O2
  • Average mass624.859 Da
  • Monoisotopic mass624.415161 Da
  • ChemSpider ID94673
  • defined stereocentres - 6 of 6 defined stereocentres


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

(16a)-21-[4-(2,6-di-1-pyrrolidinyl-4-pyrimidinyl)-1-piperazinyl]-16-methylpregna-1,4,9(11)-triene-3,20-dione
(16α)-21-{4-[2,6-Di(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl}-16-methylpregna-1,4,9(11)-trien-3,20-dion [German] [ACD/IUPAC Name]
(16α)-21-{4-[2,6-Di(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl}-16-methylpregna-1,4,9(11)-triene-3,20-dione [ACD/IUPAC Name]
(16α)-21-{4-[2,6-Di(1-pyrrolidinyl)-4-pyrimidinyl]-1-pipérazinyl}-16-méthylprégna-1,4,9(11)-triène-3,20-dione [French] [ACD/IUPAC Name]
110101-66-1 [RN]
Pregna-1,4,9(11)-triene-3,20-dione, 21-[4-(2,6-di-1-pyrrolidinyl-4-pyrimidinyl)-1-piperazinyl]-16-methyl-, (16α)- [ACD/Index Name]
Tirilazad [Wiki]
(8S,10S,13S,14S,16R,17S)-17-[2-[4-(2,6-di1-pyrrolidinyl-4-pyrimidinyl)-1-piperazinyl]-1-oxoethyl]-10,13,16-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
(8S,10S,13S,14S,16R,17S)-17-[2-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetyl]-10,13,16-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
(8S,10S,13S,14S,16R,17S)-17-[2-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanoyl]-10,13,16-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

U 74006 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 812.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.2±3.0 kJ/mol
Flash Point: 445.4±37.1 °C
Index of Refraction: 1.647
Molar Refractivity: 180.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.57
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 14.77
ACD/KOC (pH 5.5): 46.17
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 15.29
ACD/KOC (pH 7.4): 47.80
Polar Surface Area: 73 Å2
Polarizability: 71.5±0.5 10-24cm3
Surface Tension: 63.6±5.0 dyne/cm
Molar Volume: 496.7±5.0 cm3

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