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

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ChEBI Name cis-(1S,2S)-sedaxane
ChEBI ID CHEBI:83177
ChEBI ASCII Name cis-(1S,2S)-sedaxane
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C18H19F2N3O
Net Charge 0
Average Mass 331.35980
Monoisotopic Mass 331.14962
InChI InChI=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
InChIKey XQJQCBDIXRIYRP-QWHCGFSZSA-N
SMILES Cn1cc(C(=O)Nc2ccccc2[C@H]2C[C@H]2C2CC2)c(n1)C(F)F
ChEBI Ontology
Outgoing 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 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
Last Modified
30 September 2014