Products for Research Use Only
RegisterLogin

Grazoprevir potassium salt

CAT: 0931-T19948-01Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T19948-01Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1206524-86-8
Target
HCV Protease, Others, SARS-CoV
Related Pathways
Microbiology/Virology, Others, Proteases/Proteasome
Bioactivity
Grazoprevir is a drug approved for the treatment of hepatitis C. Grazoprevir is a second-generation hepatitis C virus protease inhibitor acting at the NS3/4a protease targets.
Smiles
N(C(=O)[C@H]1N2C[C@@](C1)(OC=3C(=NC=4C(N3)=CC(OC)=CC4)CCCCC[C@]5([C@](OC(=O)N[C@@H]([C@@](C)(C)C)C2=O)(C5)[H])[H])[H])[C@@]6(C(NS(=O)(=O)C7CC7)=O)[C@H](C=C)C6.[K]
Molecular Formula
C38H49KN6O9S
Molecular Weight
805
Shipping Conditions
Ice Packs
Storage Temperature
-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

Related Products

CatalogName
T12065-01Grazoprevir sodium salt
T4547-01Grazoprevir
T21456-01Grazoprevir hydrate
T61667-01Esomeprazole potassium salt
T36028-01Desacetylcefotaxime (potassium salt)
T3S0156-01Atractyloside potassium salt
T70436-01BMS 188745 Potassium Salt
T37316Fluo-3 (potassium salt)
T37090Indo-1 (potassium salt)
T29115-01VRX 03011 Potassium salt

Alternative Products

CatalogName
HY-15298A-01Grazoprevir potassium salt
330132Grazoprevir potassium
HY-15298CGrazoprevir sodium salt
23531529-25gPenicillin G potassium salt (Benzylpenicillin potassium salt)
255-AATCyanine 5 potassium salt [equivalent to Cy5® potassium salt]
GTR19277730-01Gluconasturtiin potassium salt
C4271-25Clavulanate (potassium salt)
QAA59237-01Glucoerucin potassium salt
VJA55065-01Glucoberteroin potassium salt
VJA55059-01Glucolimnanthin potassium salt

Popular Products