2-[(1S,3S,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide (CHEBI:117526)

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CHEBI:117526 - 2-[(1S,3S,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide

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ChEBI ID	CHEBI:117526
ChEBI Name	2-[(1S,3S,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide
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Downloads	Molfile

Formula	C23H27ClN2O4
Net Charge	0
Average Mass	430.932
Monoisotopic Mass	430.16594
SMILES	CN(C)c1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NCc3ccc(Cl)cc3)O[C@@H](CO)[C@H]1O2
InChI	InChI=1S/C23H27ClN2O4/c1-26(2)16-7-8-20-18(9-16)19-10-17(29-21(13-27)23(19)30-20)11-22(28)25-12-14-3-5-15(24)6-4-14/h3-9,17,19,21,23,27H,10-13H2,1-2H3,(H,25,28)/t17-,19+,21-,23-/m0/s1
InChIKey	MOQWXNTXFGVTQQ-FTJYFCJYSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(1S,3S,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide (CHEBI:117526) is a furopyran (CHEBI:74927)

Manual Xrefs	Databases
LSM-28975	LINCS