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

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anastrozole

	Properties	Image
MNX_ID	MNXM42042
reference	chebi:2704
formula	C₁₇H₁₉N₅
global charge	0
mol weight	293.374
InChIKey	YBBLVLTVTVSKRW-UHFFFAOYSA-N
InChI	InChI=1S/C17H19N5/c1-16(2,9-18)14-5-13(8-22-12-20-11-21-22)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8H2,1-4H3
SMILES	CC(C)(C#N)C1=CC(CN2C=NC=N2)=CC(C(C)(C)C#N)=C1

MNX internals

InChI (mnx)	InChI=1/C17H19N5/c1-16(2,9-18)14-5-13(8-22-12-20-11-21-22)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8H2,1-4H3
SMILES (mnx)	[CH3:1][C:16]([CH3:2])([C:9]#[N:18])[C:14]1=[CH:7][C:15]([C:17]([CH3:3])([CH3:4])[C:10]#[N:19])=[CH:6][C:13]([CH2:8][N:22]2[CH:12]=[N:20][CH:11]=[N:21]2)=[CH:5]1

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:2704 chebi:2704 YBBLVLTVTVSKRW-UHFFFAOYSA-N	anastrozole 2,2'-[5-(1H-1,2,4-triazol-1-ylmethyl)-1,3-phenylene]bis(2-methylpropanenitrile) Anastrozol alpha,alpha,alpha',alpha'-Tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-m-benzenediacetonitrile
seed.compound:cpd05119 seedM:cpd05119 kegg.compound:C08159 keggC:C08159 YBBLVLTVTVSKRW-UHFFFAOYSA-N	Anastrozole
kegg.drug:D00960 keggD:D00960 YBBLVLTVTVSKRW-UHFFFAOYSA-N	Anastrozole (JP18/USP/INN) Arimidex (TN)
hmdb:HMDB0015348 YBBLVLTVTVSKRW-UHFFFAOYSA-N	Anastrozole 2,2'-(5-(1H-1,2,4-Triazol-1-ylmethyl)-1,3-phenylene)bis(2-methylpropionitrile) 2-[3-(1-cyano-1-methylethyl)-5-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile Anastrazole Anastrozol Arimidex Astra brand OF anastrozole AstraZeneca brand OF anastrozole ICI D1033 Zeneca ZD 1033 Zeneca brand OF anastrozole a,a,Alpha',alpha'-tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-m-benzenediacetonitrile alpha,alpha,Alpha',alpha'-tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-m-benzenediacetonitrile alpha,alpha,alpha',alpha'-tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-m-benzenediacetonitrile anastrozole
hmdb:HMDB15348 keggC:M_C08159 keggD:M_D00960 seedM:M_cpd05119	secondary/obsolete/fantasy identifier