Products 850876-88-9

CAS 850876-88-9 appears in our catalog under these names: Danoprevir, >95% (HPLC), Danoprevir/ 99.52% (existing batch purity), Danoprevir (RG7227), Danoprevir, Danoprevir 99%. Offered by: TRC, TargetMol, GLPBio, Biosynth, Ambeed. Available pack sizes: 2,5mg, 2mg, 5mg, 1mg, 10mg, 25mg, 50mg, 100mg.

Structural formula: {0} (CAS {1})

Danoprevir is a keratan 6'-sulfate and an azamacrocycle.

Source: ChEBI

Identity
Molecular formulaC35H46FN5O9S
Molecular weight731.8 g/mol
IUPAC name[(1S,4R,6S,7Z,14S,18R)-4-(cyclopropylsulfonylcarbamoyl)-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate
InChIKeyZVTDLPBHTSMEJZ-JSZLBQEHSA-N
SMILESCC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)OC(=O)N4CC5=C(C4)C(=CC=C5)F)C(=O)NS(=O)(=O)C6CC6

Computed by PubChem (NCBI)