2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide (CHEBI:103070)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:103070 - 2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide

Take structure to advanced search

ChEBI ID	CHEBI:103070
ChEBI Name	2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide
Stars
Downloads	Molfile

Formula	C23H26F2N2O4
Net Charge	0
Average Mass	432.467
Monoisotopic Mass	432.18606
SMILES	CN(C)c1ccc2c(c1)[C@H]1C[C@H](CC(=O)NCc3cc(F)ccc3F)O[C@@H](CO)[C@H]1O2
InChI	InChI=1S/C23H26F2N2O4/c1-27(2)15-4-6-20-17(8-15)18-9-16(30-21(12-28)23(18)31-20)10-22(29)26-11-13-7-14(24)3-5-19(13)25/h3-8,16,18,21,23,28H,9-12H2,1-2H3,(H,26,29)/t16-,18-,21+,23+/m1/s1
InChIKey	PXUWSZVSXCWDJI-XKAWVMRWSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide (CHEBI:103070) is a furopyran (CHEBI:74927)

Manual Xrefs	Databases
LSM-14415	LINCS