[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[(2R,4R)-2-(4-hydroxybutoxy)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-yl]methanone (CHEBI:117180)

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CHEBI:117180 - [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[(2R,4R)-2-(4-hydroxybutoxy)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-yl]methanone

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ChEBI ID	CHEBI:117180
ChEBI Name	[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[(2R,4R)-2-(4-hydroxybutoxy)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-yl]methanone
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Downloads	Molfile

Formula	C29H33F3N2O6
Net Charge	0
Average Mass	562.585
Monoisotopic Mass	562.22907
SMILES	O=C(C1=C[C@H](c2ccc(C(F)(F)F)cc2)C[C@H](OCCCCO)O1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
InChI	InChI=1S/C29H33F3N2O6/c30-29(31,32)23-6-4-21(5-7-23)22-16-26(40-27(17-22)37-14-2-1-13-35)28(36)34-11-9-33(10-12-34)18-20-3-8-24-25(15-20)39-19-38-24/h3-8,15-16,22,27,35H,1-2,9-14,17-19H2/t22-,27+/m0/s1
InChIKey	CGWJDORVWUJCPV-WXVAWEFUSA-N

ChEBI Ontology

Outgoing Relation(s)
	[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[(2R,4R)-2-(4-hydroxybutoxy)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-yl]methanone (CHEBI:117180) is a (trifluoromethyl)benzenes (CHEBI:83565)

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LSM-28629	LINCS