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antrafenine

Properties

Image

Occurences in reactions

MNX_ID

MNXM119240

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₃₀H₂₆F₆N₄O₂

charge

mass

588.196

reference

chebi:135841

InChIKey

NWGGKKGAFZIVBJ-UHFFFAOYSA-N

InChI

InChI=1S/C30H26F6N4O2/c31-29(32,33)20-4-3-5-22(18-20)40-14-12-39(13-15-40)16-17-42-28(41)24-6-1-2-7-25(24)38-26-10-11-37-27-19-21(30(34,35)36)8-9-23(26)27/h1-11,18-19H,12-17H2,(H,37,38)

SMILES

O=C(OCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1Nc1ccnc2cc(C(F)(F)F)ccc12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:135841 chebi:135841	antrafenine antrafenine dihydrochloride antrafenine hydrochloride stakane
hmdb:HMDB0015488	Antrafenine 2-(4-(m-Trifluoromethyl-phenyl)-1-piperazinyl)ethyl 2-(7-trifluoromethyl-4-quinolinylamino)benzoate 2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl 2-{[7-(trifluoromethyl)quinolin-4-yl]amino}benzoate Antrafenine dihydrochloride Stakane antrafenine
hmdb:HMDB15488	secondary/obsolete/fantasy identifier