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About This Item

Empirical Formula (Hill Notation):
C27H45N5O5
CAS Number:
394730-60-0
Molecular Weight:
519.68
MDL number:
MFCD22208555
UNSPSC Code:
12352107
NACRES:
NA.77
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Quality Level

100

assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

−20°C

SMILES string

O=C(N1C[C@@]([H])([C@]2([C@]1(C(NC(CC3CCC3)C(C(N)=O)=O)=O)[H])[H])C2(C)C)[C@](C(C)(C)C)(NC(NC(C)(C)C)=O)[H]

InChI

1S/C27H45N5O5/c1-25(2,3)20(30-24(37)31-26(4,5)6)23(36)32-13-15-17(27(15,7)8)18(32)22(35)29-16(19(33)21(28)34)12-14-10-9-11-14/h14-18,20H,9-13H2,1-8H3,(H2,28,34)(H,29,35)(H2,30,31,37)/t15-,16?,17-,18-,20+/m0/s1

InChI key

LHHCSNFAOIFYRV-DOVBMPENSA-N

Biochem/physiol Actions

Boceprevir is an orally bioavailable, potent and selective hepatitis C virus (HCV) NS3 protease inhibitor (Ki = 14 nM; cell-based replicon assay IC50 = 350 nM).
Orally bioavailable, potent and selective hepatitis C virus (HCV) NS3 protease inhibitor.

pictograms

Health hazard
GHS08

signalword

Warning

hcodes

H361f

Hazard Classifications

Repr. 2

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

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