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CHEBI:85181 - dasabuvir(1−)

ChEBI IDCHEBI:85181
ChEBI Namedasabuvir(1−)
Stars
ASCII Namedasabuvir(1-)
DefinitionAn organic nitrogen anion obtained by deprotonation of the sulfonamide nitrogen of dasabuvir.
Last Modified10 March 2015
SubmitterSteve
DownloadsMolfile
FormulaC26H26N3O5S
Net Charge-1
Average Mass492.577
Monoisotopic Mass492.15987
SMILESCOc1c(-c2ccc3cc([N-]S(C)(=O)=O)ccc3c2)cc(-n2ccc(=O)nc2=O)cc1C(C)(C)C
InChIInChI=1S/C26H26N3O5S/c1-26(2,3)22-15-20(29-11-10-23(30)27-25(29)31)14-21(24(22)34-4)18-7-6-17-13-19(28-35(5,32)33)9-8-16(17)12-18/h6-15H,1-5H3,(H,27,30,31)/q-1
InChIKeyHVEYKXKVIZYQFA-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
dasabuvir(1−) (CHEBI:85181) is a organic nitrogen anion (CHEBI:50335)
Incoming Relation(s)
dasabuvir sodium (CHEBI:85179) has part dasabuvir(1−) (CHEBI:85181)
IUPAC Name 
{6-[3-tert-butyl-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-methoxyphenyl]naphthalen-2-yl}(methanesulfonyl)azanide
Synonym  Source
dasabuvir anionChEBI