C,C'-Dimethyl N,N'-(tricyclo(8.2.2.24,7)hexadeca-4,6,10,12,13,15-hexaene-5,11-diylbis(1H-benzimidazole-6,2-diyl((2S,3aS,7aS)-octahydro-1H-indole-2,1-diyl)((1S)-1-(1-methylethyl)-2-oxo-2,1-ethanediyl)))bis(carbamate)
Grundinformationen
- CAS
1415119-52-6- Standard-SMILES
COC(=O)N[C@H](C(=O)N1[C@H](c2nc3ccc(-c4cc5ccc4CCc4ccc(c(-c6ccc7nc([C@@H]8C[C@@H]9CCCC[C@@H]9N8C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c7c6)c4)CC5)cc3[nH]2)C[C@@H]2CCCC[C@@H]21)C(C)C- InChIKey
LSYBRGMTRKJATA-IVEWBXRVSA-N- Summenformel
- C60H72N8O6
- Durchschnittliche Molmasse
- 1.001,3 g/mol
- Monoisotopische Masse
- 1.000,55748205
Überblick
Odalasvir has been used in trials studying the treatment of Hepatitis C, Chronic and Chronic Hepatitis C Infection.
Namen und Bezeichner
- Bevorzugter Name
- C,C'-Dimethyl N,N'-(tricyclo(8.2.2.24,7)hexadeca-4,6,10,12,13,15-hexaene-5,11-diylbis(1H-benzimidazole-6,2-diyl((2S,3aS,7aS)-octahydro-1H-indole-2,1-diyl)((1S)-1-(1-methylethyl)-2-oxo-2,1-ethanediyl)))bis(carbamate)
- IUPAC
- methyl N-[(2S)-1-[(2S,3aS,7aS)-2-[6-[11-[2-[(2S,3aS,7aS)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-3H-benzimidazol-5-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
- Englischer Name
- Odalasvir
- Summenformel
- C60H72N8O6
- Molmasse
- 1001.26
Namen und Synonyme
Odalasvir1415119-52-6OVR52K7BDWACH-0143102DTXSID401032258Carbamic acid, N,N'-(tricyclo(8.2.2.24,7)hexadeca-4,6,10,12,13,15-hexaene-5,11-diylbis(1H-benzimidazole-6,2-diyl((2S,3aS,7aS)-octahydro-1H-indole-2,1-diyl)((1S)-1-(1-methylethyl)-2-oxo-2,1-ethanediyl)))bis-, C,C'-dimethyl esterDimethyl N,N'-(1,4(1,4)-dibenzenacyclohexaphane-12,42-diylbis(1hbenzimidazole-5,2-diyl((2S,3aS,7aS)-octahydro-1H-indole-2,1-diyl)((2S)-3-methyl-1-oxobutan-1,2-diyl)))biscarbamateMethyl N-[(2S)-1-[(2S,3aS,7aS)-2-[6-[11-[2-[(2S,3aS,7aS)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-3H-benzimidazol-5-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamateodalasvirummethyl N-((2S)-1-((2S,3aS,7aS)-2-(6-(11-(2-((2S,3aS,7aS)-1-((2S)-2-(methoxycarbonylamino)-3-methylbutanoyl)-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl)-3H-benzimidazol-5-yl)-5-tricyclo(8.2.2.24,7)hexadeca-1(12),4,6,10,13,15-hexaenyl)-1H-benzimidazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 11,5
- Polarare Oberfläche (TPSA)
- 175 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 12
- Schwere Atome
- 74
- Formalladung
- 0
- Komplexität
- 1.840
Physikochemische Eigenschaften
- Dichte
- 1.235 · 1.235±0.06 g/cm3(Predicted)
- pka
- 10.93 · 10.93±0.46(Predicted)
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.
Anbieter10 Anbieter
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