ChemSpider 2D Image | Paritaprevir | C40H43N7O7S

Paritaprevir

  • Molecular FormulaC40H43N7O7S
  • Average mass765.877 Da
  • Monoisotopic mass765.294495 Da
  • ChemSpider ID34999598

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,6S,12Z,13aR,14aR,16aS)-N-(Cyclopropylsulfonyl)-6-{[(5-methyl-2-pyrazinyl)carbonyl]amino}-5,16-dioxo-2-(6-phenanthridinyloxy)-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo [1,2-a][1,4]diazacyclopentadecin-14a(5H)-carboxamid [German] [ACD/IUPAC Name]
(2R,6S,12Z,13aR,14aR,16aS)-N-(Cyclopropylsulfonyl)-6-{[(5-methyl-2-pyrazinyl)carbonyl]amino}-5,16-dioxo-2-(6-phenanthridinyloxy)-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo [1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide [ACD/IUPAC Name]
(2R,6S,12Z,13aR,14aR,16aS)-N-(Cyclopropylsulfonyl)-6-{[(5-méthyl-2-pyrazinyl)carbonyl]amino}-5,16-dioxo-2-(6-phénanthridinyloxy)-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tétradécahydrocyclopropa[e]pyrrolo [1,2-a][1,4]diazacyclopentadécine-14a(5H)-carboxamide [French] [ACD/IUPAC Name]
Cyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide, N-(cyclopropylsulfonyl)-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydro-6-[[(5-methyl-2-pyrazinyl)carbonyl]amino]-5,16-di oxo-2-(6-phenanthridinyloxy)-, (2R,6S,12Z,13aR,14aR,16aS)- [ACD/Index Name]
Paritaprevir [INN] [USAN] [Wiki]
(1S,4R,6R,7Z,14S,18R)-N-(cyclopropanesulfonyl)-14-(5-methylpyrazine-2-amido)-2,15-dioxo-18-(phenanthridin-6-yloxy)-3,16-diazatricyclo[14.3.0.0⁴,⁶]nonadec-7-ene-4-carboxamide
(2R,6S,12Z,13aR,14aR,16aS)-N-(cyclopropanesulfonyl)-6-[(5-methylpyrazine-2-carbonyl)amino]-5,16-dioxo-2-[(phenanthridin-6-yl)oxy]-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrol
(2R,6S,12Z,13aR,14aR,16aS)-N-(cyclopropanesulfonyl)-6-[(5-methylpyrazine-2-carbonyl)amino]-5,16-dioxo-2-[(phenanthridin-6-yl)oxy]-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide
(2R,6S,12Z,13aR,14aR,16aS)-N-(cyclopropanesulfonyl)-6-[(5-methylpyrazine-2-carbonyl)amino]-5,16-dioxo-2-[(phenanthridin-6-yl)oxy]-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide; Veruprevir
1216941-48-8 [RN]
More...
  • Miscellaneous

    • Chemical Class:

      An azamacrocycle which is used which is in combination with dasabuvir sodium hydrate, ombitasvir and ritonavir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver. ChEBI CHEBI:85188

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.700
Molar Refractivity: 204.0±0.4 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 2.69
ACD/KOC (pH 5.5): 34.37
ACD/LogD (pH 7.4): 0.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.80
Polar Surface Area: 198 Å2
Polarizability: 80.9±0.5 10-24cm3
Surface Tension: 80.4±5.0 dyne/cm
Molar Volume: 528.0±5.0 cm3

Click to predict properties on the Chemicalize site


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