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Baloxavir 100mg

CAT: 0628-A18901-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A18901-100Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1985605-59-1

Chemical Information

Baloxavir

Baloxavir is under investigation in clinical trial NCT04327791 (Combination Therapy With Baloxavir and Oseltamavir 1 for Hospitalized Patients With Influenza (The COMBO Trial 1)).

CAS Number1985605-59-1
PubChem CID124081876
IUPAC Name(3R)-2-[(11S)-7,8-difluoro-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]-11-hydroxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
Molecular FormulaC24H19F2N3O4S
Molecular Weight483.5
XLogP3.6
Topological Polar Surface Area98.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count1
Heavy Atom Count34
Formal Charge0
Complexity932
SMILES
C1COC[C@@H]2N1C(=O)C3=C(C(=O)C=CN3N2[C@H]4C5=C(CSC6=CC=CC=C46)C(=C(C=C5)F)F)O
InChI
InChI=1S/C24H19F2N3O4S/c25-16-6-5-13-15(20(16)26)12-34-18-4-2-1-3-14(18)21(13)29-19-11-33-10-9-27(19)24(32)22-23(31)17(30)7-8-28(22)29/h1-8,19,21,31H,9-12H2/t19-,21+/m1/s1
InChIKey
FIDLLEYNNRGVFR-CTNGQTDRSA-N
Chemical Structure
2D Structure
2D structure of Baloxavir
CAS: 1985605-59-1
CID: 124081876
Formula: C24H19F2N3O4S
MW: 483.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight483.5
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count1
Exact Mass483.10643359
Monoisotopic Mass483.10643359
Topological Polar Surface Area98.6 Ų
Heavy Atom Count34
Formal Charge0
Complexity932
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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