Danoprevir

Catalog Number: BC-0779

CAS Number: 850876-88-9

Specifications Downloads Related products

Specifications

Product Information
Molecular Formula	C₃₅H₄₆FN₅O₉S
Molecular Weight	731.83
Purity	≥98% by HPLC
SMILES	CC(C)(C)OC(=O)NC1CCCCCC=CC2CC2(NC(=O)C3CC(CN3C1=O)OC(=O)N4CC5=C(C4)C(=CC=C5)F)C(=O)NS(=O)(=O)C6CC6
InChi	InChI=1S/C35H46FN5O9S/c1-34(2,3)50-32(45)37-27-13-8-6-4-5-7-11-22-17-35(22,31(44)39-51(47,48)24-14-15-24)38-29(42)28-16-23(19-41(28)30(27)43)49-33(46)40-18-21-10-9-12-26(36)25(21)20-40/h7,9-12,22-24,27-28H,4-6,8,13-20H2,1-3H3,(H,37,45)(H,38,42)(H,39,44)/b11-7+/t22-,23-,27+,28+,35-/m1/s1
InChi Key	ZVTDLPBHTSMEJZ-AIYSODCISA-N
Alternate Name	(2R,6S,13aS,14aR,16aS,Z)-6-((tert-butoxycarbonyl)amino)-14a-((cyclopropylsulfonyl)carbamoyl)-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoroisoindoline-2-carboxylate; RG7227,ITMN-191
Appearance	Crystalline solid

Properties
Storage Conditions	-20°C
Shipping Conditions	Gel Pack
Solubility	DMSO (>30 mg/ml)

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