Deldeprevir Sodium
Grundinformationen
- CAS
1298053-61-8- Standard-SMILES
COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)[N-]S(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCC[C@H](CC(=O)N5CCCC(F)(F)C5)C(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1C.[Na+]- InChIKey
KLBYIWFUEHNOSA-ACPQSSBHSA-M- Summenformel
- C45H55F2N6NaO8S2
- Durchschnittliche Molmasse
- 933,1 g/mol
- Monoisotopische Masse
- 932,33885569
Überblick
See also: Deldeprevir (has active moiety).
Namen und Bezeichner
- Bevorzugter Name
- Deldeprevir Sodium
- IUPAC
- sodium cyclopropylsulfonyl-[(1S,4R,6S,7Z,14R,18R)-14-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carbonyl]azanide
Namen und Synonyme
Deldeprevir SodiumNeceprevir sodiumACH-0142684.NaACH-2684 SODIUMACH-0142684 sodiumACH-2684.Na89B8ZLI72B1298053-61-8RefChem:131608Deldeprevir sodium [USAN]Deldeprevir NaNeceprevir sodium [USAN]
Weitere Namen anzeigen
UNII-89B8ZLI72BDeldeprevir sodium [WHO-DD]CHEMBL3039499ACH-0142684.Na, ACH-2684.NaQ27270034Cyclopropa(e)pyrrolo(1,2-a)(1,4)diazacyclopentadecine-14a(5H)-carboxamide, N- (cyclopropylsulfonyl)-6-(2-(3,3-difluoro-1-piperidinyl)-2-oxoethyl)- 1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydro-2-((7-methoxy-8-methyl-2-(4-(1- methylethyl)-2-thiazolyl)-4-quinolinyl)oxy)-5,16-dioxo-, sodium salt (1:1), (2R,6R,12Z,13aS,14aR,16aS)-Sodium (cyclopropylsulfonyl)(((2R,6R,12Z,13aS,14aR,16aS)-6-(2-(3,3-difluoropiperidin- 1-yl)-2-oxoethyl)-2-((7-methoxy-8-methyl-2-(4-(1-methylethyl)thiazol-2-yl)quinolin-4- yl)oxy)-5,16-dioxo-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)- yl)formyl)azanide
Datenbank-Bezeichner
- CAS
1298053-61-8- PubChem CID
- 56956252
- ChEMBL
CHEMBL3039499- UNII
- 89B8ZLI72B
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 203 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 14
- Frei drehbare Bindungen
- 10
- Schwere Atome
- 64
- Formalladung
- 0
- Komplexität
- 1.860
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.
Compounds that specifically inhibit PROTEOLYTIC ENZYMES that are encoded by VIRUSES.
Zugehörige Reaktionen
1
Notizen zur Verbindung
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