EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:83177 - cis-(1S,2S)-sedaxane

ChEBI IDCHEBI:83177
ChEBI Namecis-(1S,2S)-sedaxane
Stars
ASCII Namecis-(1S,2S)-sedaxane
DefinitionAn N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1pyrazole-4-carboxamide that is the cis-(1S,2S)-diastereomer of sedaxane.
Last Modified30 September 2014
SubmitterSteve
DownloadsMolfile
FormulaC18H19F2N3O
Net Charge0
Average Mass331.366
Monoisotopic Mass331.14962
SMILESCn1cc(C(=O)Nc2ccccc2[C@H]2C[C@H]2C2CC2)c(C(F)F)n1
InChIInChI=1S/C18H19F2N3O/c1-23-9-14(16(22-23)17(19)20)18(24)21-15-5-3-2-4-11(15)13-8-12(13)10-6-7-10/h2-5,9-10,12-13,17H,6-8H2,1H3,(H,21,24)/t12-,13+/m0/s1
InChIKeyXQJQCBDIXRIYRP-QWHCGFSZSA-N
ChEBI Ontology
Outgoing Relation(s)
cis-(1S,2S)-sedaxane (CHEBI:83177) is a N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1pyrazole-4-carboxamide (CHEBI:83174)
cis-(1S,2S)-sedaxane (CHEBI:83177) is enantiomer of cis-(1R,2R)-sedaxane (CHEBI:83176)
Incoming Relation(s)
sedaxane (CHEBI:83173) has part cis-(1S,2S)-sedaxane (CHEBI:83177)
cis-(1R,2R)-sedaxane (CHEBI:83176) is enantiomer of cis-(1S,2S)-sedaxane (CHEBI:83177)
IUPAC Name 
N-{2-[(1S,2S)-1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide