2-[(3S,6aR,8R,10aR)-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-propylacetamide (CHEBI:125818)

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CHEBI:125818 - 2-[(3S,6aR,8R,10aR)-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-propylacetamide

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ChEBI ID	CHEBI:125818
ChEBI Name	2-[(3S,6aR,8R,10aR)-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-propylacetamide
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Formula	C21H30Cl2N2O4
Net Charge	0
Average Mass	445.387
Monoisotopic Mass	444.15826
SMILES	CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccc(Cl)c(Cl)c2)O1
InChI	InChI=1S/C21H30Cl2N2O4/c1-2-7-24-21(27)9-16-4-6-19-20(29-16)13-28-12-15(26)11-25(19)10-14-3-5-17(22)18(23)8-14/h3,5,8,15-16,19-20,26H,2,4,6-7,9-13H2,1H3,(H,24,27)/t15-,16+,19+,20-/m0/s1
InChIKey	IQIGJWNUIWVINT-FIYPYCPBSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(3S,6aR,8R,10aR)-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-propylacetamide (CHEBI:125818) is a dichlorobenzene (CHEBI:23697)

Manual Xrefs	Databases
LSM-37386	LINCS