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Chemistry

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Also known as: 868046-19-9, Elsulfavirine [inn], Zc4cgo0rug, 2-fluorophenyl]acetamido}-, R-1206, 3-chlorobenzenesulfonyl)propanamide
Molecular Formula
C24H17BrCl2FN3O5S
Molecular Weight
629.3  g/mol
InChI Key
ULTDEARCBRNRGR-UHFFFAOYSA-N
FDA UNII
ZC4CGO0RUG

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).
1 2D Structure

Elsulfavirine

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-[4-[[2-[4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]acetyl]amino]-3-chlorophenyl]sulfonylpropanamide
2.1.2 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)
2.1.3 InChI Key
ULTDEARCBRNRGR-UHFFFAOYSA-N
2.1.4 Canonical 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
2.2 Other Identifiers
2.2.1 UNII
ZC4CGO0RUG
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Elpida

2. N-(4-((2-(4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl)acetyl)amino)-3-chlorophenyl)sulfonylpropanamide

3. R-1206

4. R1206

2.3.2 Depositor-Supplied Synonyms

1. 868046-19-9

2. Elsulfavirine [inn]

3. Zc4cgo0rug

4. 2-fluorophenyl]acetamido}-

5. R-1206

6. 3-chlorobenzenesulfonyl)propanamide

7. N-((4-(2-(4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl)acetamido)-3-chlorophenyl)sulfonyl)propionamide

8. N-(4-{2-[4-bromo-3-(3-chloro-5-cyanophenoxy)-

9. Benzeneacetamide, 4-bromo-3-(3-chloro-5-cyanophenoxy)-n-(2-chloro-4-(((1-oxopropyl)amino)sulfonyl)phenyl)-2-fluoro-

10. N-(4-((2-(4-bromo-3-(3-chloro-5-cyano-phenoxy)-2-fluoro-phenyl)acetyl)amino)-3-chloro-phenyl)sulfonylpropanamide

11. Unii-zc4cgo0rug

12. Elsulfavirine [who-dd]

13. Schembl1341521

14. Chembl4301163

15. At14358

16. Db14929

17. Hy-109056

18. Cs-0031646

19. N-[4-[[2-[4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]acetyl]amino]-3-chlorophenyl]sulfonylpropanamide

2.4 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 629.3 g/mol
Molecular Formula C24H17BrCl2FN3O5S
XLogP35.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass626.94334 g/mol
Monoisotopic Mass626.94334 g/mol
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
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Anti-HIV Agents

Agents used to treat AIDS and/or stop the spread of the HIV infection. These do not include drugs used to treat symptoms or opportunistic infections associated with AIDS. (See all compounds classified as Anti-HIV Agents.)


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