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MK-5172 potassium salt

CAT: 0607-A3620-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-A3620-1Size:1 mg
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Description
HCV NS3/4a protease inhibitor
CAS Number
1206524-86-8
Sequence
MK5172 potassium salt;MK 5172 potassium salt
Field of Research
Proteases NS3 4a protease
Purity
0.98
Solubility
Soluble in DMSO
Smiles
COC1=CC2=C(N=C(CCCCC[C@@H]3C[C@H]3OC(N[C@@H](C(C)(C)C)C(N4[C@H](C(N[C@@]5(C(NS(=O)(C6CC6)=O)=O)[C@H](C5)C=C)=O)C[C@@H]7C4)=O)=O)C(O7)=N2)C=C1.[K+]
Molecular Formula
C38H50KN6O9S+
Molecular Weight
806
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Grazoprevir potassium
CAS Number1206524-86-8
PubChem CID44603530
IUPAC Namepotassium [(1R,2S)-1-[[(1R,18R,20R,24S,27S)-24-tert-butyl-7-methoxy-22,25-dioxo-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-27-carbonyl]amino]-2-ethenylcyclopropanecarbonyl]-cyclopropylsulfonylazanide
Molecular FormulaC38H49KN6O9S
Molecular Weight805.0
Topological Polar Surface Area193
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Heavy Atom Count55
Formal Charge0
Complexity1590
SMILES
CC(C)(C)[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@]3(C[C@H]3C=C)C(=O)[N-]S(=O)(=O)C4CC4)OC5=NC6=C(C=CC(=C6)OC)N=C5CCCCC[C@@H]7C[C@H]7OC(=O)N1.[K+]
InChI
InChI=1S/C38H50N6O9S.K/c1-6-22-19-38(22,35(47)43-54(49,50)25-13-14-25)42-32(45)29-18-24-20-44(29)34(46)31(37(2,3)4)41-36(48)53-30-16-21(30)10-8-7-9-11-27-33(52-24)40-28-17-23(51-5)12-15-26(28)39-27;/h6,12,15,17,21-22,24-25,29-31H,1,7-11,13-14,16,18-20H2,2-5H3,(H3,41,42,43,45,47,48);/q;+1/p-1/t21-,22-,24-,29+,30-,31-,38-;/m1./s1
InChIKey
MVOGOEKATQJYHW-CIAYNJNFSA-M
Chemical Structure
2D Structure
2D structure of Grazoprevir potassium
CAS: 1206524-86-8
CID: 44603530
Formula: C38H49KN6O9S
MW: 805.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight805.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Exact Mass804.29187982
Monoisotopic Mass804.29187982
Topological Polar Surface Area193 Ų
Heavy Atom Count55
Formal Charge0
Complexity1590
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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A15167-25MK-5172 potassium salt 25mg
A15167-5MK-5172 potassium salt 5mg
MBS6068488-01Losartan, Potassium Salt (Cozaar, MK-954, 2-Butyl-4-chloro-1-[[2'- (1H-tetrazol-5yl) [1,1'-biphenyl]-4-yl]methyl]-1H-imidazole-5-methanol)
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