Danoprevir sodium

Danoprevir sodium · Danoprevir (Na) · Danoprevir sodium salt · FJEYRHUWXZLIGS-NMSJDDSISA-N · 4-Fluoro-1,3-dihydro-2H-isoindole-2-carboxylic acid (2R,6S,12Z,13aS,14aR,16aS)-14a-[[(cyclopropylsul · 4-Fluoro-1,3-dihydro-2H-isoindole-2-carboxylic acid (2R,6S,12Z,13aS,14aR,16aS)-14a-[[(cyclopropylsulfonyl)amino]carbonyl]-6-[[(1,1-dimethylethoxy)carbonyl]amino]-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydro-5,16-dioxocyclopropa[e]pyrrolo[1,2-a · 4-Fluoro-1,3-dihydro-2H-isoindole-2-carboxylic acid (2R,6S,12Z,13aS,14aR,16aS)-14a-[[(cyclopropylsulfonyl)amino]carbonyl]-6-[[(1,1-dimethylethoxy)carbonyl]amino]-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydro-5,16-dioxocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl ester sodium salt

https://huagongshe.com/de/chemical/23718928

Identifikatoren & physikalische Daten

CAS No.	916826-48-7
Summenformel	C35H45FN5NaO9S
Durchschnittliche Molmasse	753,8 g/mol
Monoisotopische Masse	753,28197165 g/mol
SMILES	CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)[N-]S(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4cccc(F)c4C3)CN2C1=O.[Na+]
InChIKey	FJEYRHUWXZLIGS-WKETZSDESA-N
PubChem CID	23718928
ChEMBL	CHEMBL2146090

Chemische & physikalische Eigenschaften

Polarare Oberfläche (TPSA)	178
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	11
Frei drehbare Bindungen	8
Schwere Atome	52
Formalladung	0
Komplexität	1.530