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Elsulfavirine 50mg

CAT: 0628-A22486-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A22486-50Size:50 mg
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CAS Number
868046-19-9

Chemical Information

Elsulfavirine

Elsulfavirine is under investigation in clinical trial NCT03706898 (Study to Evaluate the Safety and PK of Elpida® in Healthy Subjects and Patients With Hepatic Impairment and to Assess the Impact of Food Intake and Drug-Drug Interactions With Other Antiviral Drugs).

CAS Number868046-19-9
PubChem CID11527519
IUPAC NameN-[4-[[2-[4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]acetyl]amino]-3-chlorophenyl]sulfonylpropanamide
Molecular FormulaC24H17BrCl2FN3O5S
Molecular Weight629.3
XLogP5.2
Topological Polar Surface Area134
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count37
Formal Charge0
Complexity977
SMILES
CCC(=O)NS(=O)(=O)C1=CC(=C(C=C1)NC(=O)CC2=C(C(=C(C=C2)Br)OC3=CC(=CC(=C3)C#N)Cl)F)Cl
InChI
InChI=1S/C24H17BrCl2FN3O5S/c1-2-21(32)31-37(34,35)17-4-6-20(19(27)11-17)30-22(33)9-14-3-5-18(25)24(23(14)28)36-16-8-13(12-29)7-15(26)10-16/h3-8,10-11H,2,9H2,1H3,(H,30,33)(H,31,32)
InChIKey
ULTDEARCBRNRGR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Elsulfavirine
CAS: 868046-19-9
CID: 11527519
Formula: C24H17BrCl2FN3O5S
MW: 629.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight629.3
XLogP35.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass626.94334
Monoisotopic Mass626.94334
Topological Polar Surface Area134 Ų
Heavy Atom Count37
Formal Charge0
Complexity977
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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BA1925-5Elsulfavirine
AR-E09576-01Elsulfavirine-13C6
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