ChemSpider 2D Image | Fosnetupitant | C31H35F6N4O5P

Fosnetupitant

  • Molecular FormulaC31H35F6N4O5P
  • Average mass688.598 Da
  • Monoisotopic mass688.224915 Da
  • ChemSpider ID44208829

More details:

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

(4-{5-[{2-[3,5-Bis(trifluormethyl)phenyl]-2-methylpropanoyl}(methyl)amino]-4-(2-methylphenyl)-2-pyridinyl}-1-methylpiperazin-1-ium-1-yl)methylhydrogenphosphat [German] [ACD/IUPAC Name]
(4-{5-[{2-[3,5-Bis(trifluoromethyl)phenyl]-2-methylpropanoyl}(methyl)amino]-4-(2-methylphenyl)-2-pyridinyl}-1-methylpiperazin-1-ium-1-yl)methyl hydrogen phosphate [ACD/IUPAC Name]
07-PNET
1703748-89-3 [RN]
fosnetupitant [Spanish] [INN]
Fosnetupitant [INN] [USAN]
fosnétupitant [French] [INN]
fosnetupitantum [Latin] [INN]
Hydrogénophosphate de (4-{5-[{2-[3,5-bis(trifluorométhyl)phényl]-2-méthylpropanoyl}(méthyl)amino]-4-(2-méthylphényl)-2-pyridinyl}-1-méthylpipérazin-1-ium-1-yl)méthyle [French] [ACD/IUPAC Name]
Piperazinium, 4-[5-[[2-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-1-oxopropyl]methylamino]-4-(2-methylphenyl)-2-pyridinyl]-1-methyl-1-[(phosphonooxy)methyl]-, inner salt [ACD/Index Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

10146 [DBID]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 1.86
ACD/LogD (pH 5.5): -0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.66
ACD/LogD (pH 7.4): -0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.69
Polar Surface Area: 116 Å2
Polarizability:
Surface Tension:
Molar Volume:

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