ChemSpider 2D Image | Tenapanor | C50H66Cl4N8O10S2

Tenapanor

  • Molecular FormulaC50H66Cl4N8O10S2
  • Average mass1145.049 Da
  • Monoisotopic mass1142.309692 Da
  • ChemSpider ID32056950

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1234423-95-0 [RN]
17-[[[3-[(4S)-6,8-Dichloro-1,2,3,4-tetrahydro-2-methyl-4-isoquinolinyl]phenyl]sulfonyl]amino]-N-[2-[2-[2-[[[3-[(4S)-6,8-dichloro-1,2,3,4-tetrahydro-2-methyl-4-isoquinolinyl]phenyl]sulfonyl]amino]ethoxy]ethoxy]ethyl]-8-oxo-12,15-dioxa-2,7,9-triazaheptadecanamide
Benzenesulfonamide, N,N'-(10,17-dioxo-3,6,21,24-tetraoxa-9,11,16,18-tetraazahexacosane-1,26-diyl)bis[3-[(4S)-6,8-dichloro-1,2,3,4-tetrahydro-2-methyl-4-isoquinolinyl]- [ACD/Index Name]
N,N'-(10,17-Dioxo-3,6,21,24-tetraoxa-9,11,16,18-tetraazahexacosan-1,26-diyl)bis{3-[(4S)-6,8-dichlor-2-methyl-1,2,3,4-tetrahydro-4-isochinolinyl]benzolsulfonamid} [German] [ACD/IUPAC Name]
N,N'-(10,17-Dioxo-3,6,21,24-tétraoxa-9,11,16,18-tétraazahexacosane-1,26-diyl)bis{3-[(4S)-6,8-dichloro-2-méthyl-1,2,3,4-tétrahydro-4-isoquinoléinyl]benzènesulfonamide} [French] [ACD/IUPAC Name]
N,N'-(10,17-Dioxo-3,6,21,24-tetraoxa-9,11,16,18-tetraazahexacosane-1,26-diyl)bis{3-[(4S)-6,8-dichloro-2-methyl-1,2,3,4-tetrahydro-4-isoquinolinyl]benzenesulfonamide} [ACD/IUPAC Name]
Tenapanor [Wiki]
WYD79216A6
1-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethyl]-3-[4-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethylcarbamoylamino]butyl]urea
1234423-95-0 (free base)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

9652 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.590
    Molar Refractivity: 291.0±0.4 cm3
    #H bond acceptors: 18
    #H bond donors: 6
    #Freely Rotating Bonds: 29
    #Rule of 5 Violations: 3
    ACD/LogP: 4.85
    ACD/LogD (pH 5.5): 3.80
    ACD/BCF (pH 5.5): 133.71
    ACD/KOC (pH 5.5): 272.01
    ACD/LogD (pH 7.4): 5.94
    ACD/BCF (pH 7.4): 18444.64
    ACD/KOC (pH 7.4): 37523.65
    Polar Surface Area: 235 Å2
    Polarizability: 115.3±0.5 10-24cm3
    Surface Tension: 52.2±3.0 dyne/cm
    Molar Volume: 862.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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