2-[(1S,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide (CHEBI:102123)

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CHEBI:102123 - 2-[(1S,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide

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ChEBI ID	CHEBI:102123
ChEBI Name	2-[(1S,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
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Formula	C23H35N3O4
Net Charge	0
Average Mass	417.550
Monoisotopic Mass	417.26276
SMILES	CN(C)c1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NCCN3CCCCC3)O[C@@H](CO)[C@@H]1O2
InChI	InChI=1S/C23H35N3O4/c1-25(2)16-6-7-20-18(12-16)19-13-17(29-21(15-27)23(19)30-20)14-22(28)24-8-11-26-9-4-3-5-10-26/h6-7,12,17,19,21,23,27H,3-5,8-11,13-15H2,1-2H3,(H,24,28)/t17-,19+,21+,23-/m1/s1
InChIKey	HWEAQBDEOFZYHR-QXPQREGVSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(1S,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide (CHEBI:102123) is a furopyran (CHEBI:74927)

Manual Xrefs	Databases
LSM-13483	LINCS