Chemistry:Capravirine

Capravirine

Names
Preferred IUPAC name {5-[(3,5-Dichlorophenyl)sulfanyl]-4-(propan-2-yl)-1-[(pyridin-4-yl)methyl]-1H-imidazol-2-yl}methyl carbamate
Identifiers
CAS Number	178979-85-6 Y
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL435128 N
ChemSpider	1717 N
PubChem CID	1783
UNII	VHC779598X N
InChI InChI=1S/C20H20Cl2N4O2S/c1-12(2)18-19(29-16-8-14(21)7-15(22)9-16)26(10-13-3-5-24-6-4-13)17(25-18)11-28-20(23)27/h3-9,12H,10-11H2,1-2H3,(H2,23,27) N Key: YQXCVAGCMNFUMQ-UHFFFAOYSA-N N InChI=1/C20H20Cl2N4O2S/c1-12(2)18-19(29-16-8-14(21)7-15(22)9-16)26(10-13-3-5-24-6-4-13)17(25-18)11-28-20(23)27/h3-9,12H,10-11H2,1-2H3,(H2,23,27) Key: YQXCVAGCMNFUMQ-UHFFFAOYAP
SMILES O=C(OCc2nc(c(Sc1cc(Cl)cc(Cl)c1)n2Cc3ccncc3)C(C)C)N
Properties
Chemical formula	C20H20Cl2N4O2S
Molar mass	451.37 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
N verify (what is YN ?)
Infobox references

Tracking categories (test):

• SizeSet

Capravirine was a non-nucleoside reverse transcriptase inhibitor which reached phase II trials before development was discontinued by Pfizer. Both phase IIb trials which were conducted failed to demonstrate that therapy with capravirine provided any significant advantage over existing triple-drug HIV therapies, and pharmacology studies showed that capravirine may interact with other HIV drugs.