2-[(3R,6aS,8R,10aS)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-methylacetamide (CHEBI:101642)

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CHEBI:101642 - 2-[(3R,6aS,8R,10aS)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-methylacetamide

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ChEBI ID	CHEBI:101642
ChEBI Name	2-[(3R,6aS,8R,10aS)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-methylacetamide
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Formula	C19H26Cl2N2O4
Net Charge	0
Average Mass	417.333
Monoisotopic Mass	416.12696
SMILES	CNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccc(Cl)c(Cl)c2)O1
InChI	InChI=1S/C19H26Cl2N2O4/c1-22-19(25)7-14-3-5-17-18(27-14)11-26-10-13(24)9-23(17)8-12-2-4-15(20)16(21)6-12/h2,4,6,13-14,17-18,24H,3,5,7-11H2,1H3,(H,22,25)/t13-,14-,17+,18-/m1/s1
InChIKey	ZCDZHCWZNJFIKB-KJWYOANISA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(3R,6aS,8R,10aS)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-methylacetamide (CHEBI:101642) is a dichlorobenzene (CHEBI:23697)

Manual Xrefs	Databases
LSM-13005	LINCS