MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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clomiphene

	Properties	Image
MNX_ID	MNXM737281
reference	chebi:3752
formula	C₂₆H₂₈ClNO
global charge	0
mol weight	405.969
InChIKey	GKIRPKYJQBWNGO-UHFFFAOYSA-N
InChI	InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3
SMILES	CCN(CC)CCOC1=CC=C(C(C2=CC=CC=C2)=C(Cl)C2=CC=CC=C2)C=C1

MNX internals

InChI (mnx)	InChI=1/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3/b26-25?
SMILES (mnx)	[CH3:1][CH2:3][N:28]([CH2:4][CH3:2])[CH2:19][CH2:20][O:29][C:24]1=[CH:18][CH:16]=[C:22]([C:25]([C:21]2=[CH:11][CH:7]=[CH:5][CH:8]=[CH:12]2)=[C:26]([C:23]2=[CH:13][CH:9]=[CH:6][CH:10]=[CH:14]2)[Cl:27])[CH:15]=[CH:17]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:3752 chebi:3752 GKIRPKYJQBWNGO-UHFFFAOYSA-N	clomiphene 2-(4-(2-chloro-1,2-diphenylethenyl)phenoxy)-N,N-diethylethanamine 2-(p-(2-chloro-1,2-diphenylvinyl)phenoxy)triethylamine 2-(p-(beta-chloro-alpha-phenylstyryl)phenoxy)triethylamine 2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethylethanamine Clomifene Clomiphene clomifene clomifeno clomifenum
sabiork.compound:31253 sabiorkM:31253 GKIRPKYJQBWNGO-UHFFFAOYSA-N	Clomifene
hmdb:HMDB0015020 GKIRPKYJQBWNGO-UHFFFAOYSA-N	Clomifene 2-(4-(2-Chloro-1,2-diphenylethenyl)phenoxy)-N,N-diethylethanamine 2-(p-(2-Chloro-1,2-diphenylvinyl)phenoxy)triethylamine 2-(p-(b-Chloro-a-phenylstyryl)phenoxy)triethylamine 2-(p-(beta-Chloro-alpha-phenylstyryl)phenoxy)triethylamine 2-(p-(beta-chloro-alpha-phenylstyryl)phenoxy)triethylamine Chlomaphene Chloramifene Chloramiphene Cisclomiphene Citrate, clomiphene Clomid Clomide Clomifen Clomifene citrate Clomifeno Clomifenum Clomiphene Clomiphene citrate Clomiphene citrate (Z,e) Clomiphene hydrochloride Clostilbegit Dyneric Gravosan Hydrochloride, clomiphene Klostilbegit Racemic clomiphene citrate Serophene Zuclomiphene citrate pioner {2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]ethyl}diethylamine
hmdb:HMDB15020	secondary/obsolete/fantasy identifier