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ezetimibe

	Properties	Image
MNX_ID	MNXM1370156
reference	chebi:49040
formula	C₂₄H₂₁F₂NO₃
global charge	0
mol weight	409.432
InChIKey	OLNTVTPDXPETLC-XPWALMASSA-N
InChI	InChI=1S/C24H21F2NO3/c25-17-5-1-15(2-6-17)22(29)14-13-21-23(16-3-11-20(28)12-4-16)27(24(21)30)19-9-7-18(26)8-10-19/h1-12,21-23,28-29H,13-14H2/t21-,22+,23-/m1/s1
SMILES	O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1

MNX internals

InChI (mnx)	InChI=1/C24H21F2NO3/c25-17-5-1-15(2-6-17)22(29)14-13-21-23(16-3-11-20(28)12-4-16)27(24(21)30)19-9-7-18(26)8-10-19/h1-12,21-23,28-29H,13-14H2/t21-,22+,23-/m1/s1
SMILES (mnx)	[cH:1]1[cH:5][c:17]([F:25])[cH:6][cH:2][c:15]1[C@H:22]([CH2:14][CH2:13][C@@H:21]1[C@@H:23]([c:16]2[cH:3][cH:11][c:20]([OH:28])[cH:12][cH:4]2)[N:27]([c:19]2[cH:9][cH:7][c:18]([F:26])[cH:8][cH:10]2)[C:24]1=[O:30])[OH:29]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:49040 chebi:49040 OLNTVTPDXPETLC-XPWALMASSA-N	ezetimibe (3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)azetidin-2-one Ezedoc Ezetrol Zetia ezetimiba ezetimibum
kegg.drug:D01966 keggD:D01966 OLNTVTPDXPETLC-XPWALMASSA-N	Ezetimibe (JAN/USP/INN) Zetia (TN)
hmdb:HMDB0015108 OLNTVTPDXPETLC-XPWALMASSA-N	Ezetimibe (1-(4-Fluorophenyl)-(3R)-(3-(4-fluorophenyl)-(3S)-hydroxypropyl)-(4S)-(4-hydroxyphenyl)-2-azetidinone) (3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)azetidin-2-one Ezedoc Ezetimib Ezetimiba Ezetimibum Ezetrol Zetia ezetimibe
vmhM:eztmb vmhM:eztmb vmhmetabolite:eztmb vmhmetabolite:eztmb OLNTVTPDXPETLC-XPWALMASSA-N	Ezetimibe (1-(4-Fluorophenyl)-(3R)-(3-(4-fluorophenyl)-(3S)-hydroxypropyl)-(4S)-(4-hydroxyphenyl)-2-azetidinone) Cellular membrane Cytoplasma Ezedoc Ezetimib Ezetimiba Ezetimibum Ezetrol Zetia
hmdb:HMDB15108 keggD:M_D01966 vmhM:M_eztmb	secondary/obsolete/fantasy identifier