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Nivocasan 25mg

CAT: 0628-A14100-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A14100-25Size:25 mg
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CAS Number
908253-63-4

Chemical Information

Nivocasan

Nivocasan has been used in trials studying the treatment of HCV Infection and Nonalcoholic Steatohepatitis.

CAS Number908253-63-4
PubChem CID11633038
IUPAC Name(5R)-N-[(2S,3S)-2-(fluoromethyl)-2-hydroxy-5-oxooxolan-3-yl]-3-isoquinolin-1-yl-5-propan-2-yl-4H-1,2-oxazole-5-carboxamide
Molecular FormulaC21H22FN3O5
Molecular Weight415.4
XLogP2.1
Topological Polar Surface Area110
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity731
SMILES
CC(C)[C@]1(CC(=NO1)C2=NC=CC3=CC=CC=C32)C(=O)N[C@H]4CC(=O)O[C@@]4(CF)O
InChI
InChI=1S/C21H22FN3O5/c1-12(2)20(19(27)24-16-9-17(26)29-21(16,28)11-22)10-15(25-30-20)18-14-6-4-3-5-13(14)7-8-23-18/h3-8,12,16,28H,9-11H2,1-2H3,(H,24,27)/t16-,20+,21+/m0/s1
InChIKey
VYFGDLGHHBUDTQ-ZLGUVYLKSA-N
Chemical Structure
2D Structure
2D structure of Nivocasan
CAS: 908253-63-4
CID: 11633038
Formula: C21H22FN3O5
MW: 415.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.4
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass415.15434897
Monoisotopic Mass415.15434897
Topological Polar Surface Area110 Ų
Heavy Atom Count30
Formal Charge0
Complexity731
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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