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CHEBI:83176 - cis-(1R,2R)-sedaxane

ChEBI IDCHEBI:83176
ChEBI Namecis-(1R,2R)-sedaxane
Stars
ASCII Namecis-(1R,2R)-sedaxane
DefinitionAn N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1pyrazole-4-carboxamide that is the cis-(1R,2R)-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+/m1/s1
InChIKeyXQJQCBDIXRIYRP-OLZOCXBDSA-N
ChEBI Ontology
Outgoing Relation(s)
cis-(1R,2R)-sedaxane (CHEBI:83176) is a N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1pyrazole-4-carboxamide (CHEBI:83174)
cis-(1R,2R)-sedaxane (CHEBI:83176) is enantiomer of cis-(1S,2S)-sedaxane (CHEBI:83177)
Incoming Relation(s)
sedaxane (CHEBI:83173) has part cis-(1R,2R)-sedaxane (CHEBI:83176)
cis-(1S,2S)-sedaxane (CHEBI:83177) is enantiomer of cis-(1R,2R)-sedaxane (CHEBI:83176)
IUPAC Name 
N-{2-[(1R,2R)-1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide
Registry NumbersSources
Reaxys:11337568Reaxys