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

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midazolam

	Properties	Image
MNX_ID	MNXM62123
reference	chebi:6931
formula	C₁₈H₁₃ClFN₃
global charge	0
mol weight	325.774
InChIKey	DDLIGBOFAVUZHB-UHFFFAOYSA-N
InChI	InChI=1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3
SMILES	CC1=NC=C2CN=C(C3=CC=CC=C3F)C3=C(C=CC(Cl)=C3)N21

MNX internals

InChI (mnx)	InChI=1/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3
SMILES (mnx)	[CH3:1][C:11]1=[N:21][CH:9]=[C:13]2[CH2:10][N:22]=[C:18]([C:14]3=[CH:4][CH:2]=[CH:3][CH:5]=[C:16]3[F:20])[C:15]3=[C:17]([CH:7]=[CH:6][C:12]([Cl:19])=[CH:8]3)[N:23]12

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	7

Similar chemical compounds in external resources
Identifier	Description
CHEBI:6931 chebi:6931 DDLIGBOFAVUZHB-UHFFFAOYSA-N	midazolam 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine Buccolam Dormicum mezolam midazolamum
bigg.metabolite:mdz biggM:mdz kegg.compound:C07524 keggC:C07524 DDLIGBOFAVUZHB-UHFFFAOYSA-N	Midazolam
kegg.drug:D00550 keggD:D00550 DDLIGBOFAVUZHB-UHFFFAOYSA-N	Midazolam (JAN/USP/INN) Buccolam (TN) Dormicum (TN) Nayzilam (TN)
vmhM:mdz vmhmetabolite:mdz DDLIGBOFAVUZHB-UHFFFAOYSA-N	Midazolam 12-chloro-9-(2-fluorophenyl)-3-methyl-2,4,8-triazatricyclo[8.4.0.0²,⁶]tetradeca-1(10),3,5,8,11,13-hexaene
hmdb:HMDB0014821 DDLIGBOFAVUZHB-UHFFFAOYSA-N	Midazolam 12-chloro-9-(2-fluorophenyl)-3-methyl-2,4,8-triazatricyclo[8.4.0.0²,⁶]tetradeca-1(10),3,5,8,11,13-hexaene Buccolam Dea no. 2884 Dormicum Hydrochloride, midazolam Maleate, midazolam Mezolam Midazolam base Midazolam hydrochloride Midazolam maleate Midazolamum Nayzilam Versed midazolam
seed.compound:cpd04694 seedM:cpd04694 DDLIGBOFAVUZHB-UHFFFAOYSA-N	Midazolam buccolam mezolam midazolam
metacyc.compound:CPD-20500 metacycM:CPD-20500 DDLIGBOFAVUZHB-UHFFFAOYSA-N	midazolam buccolam mezolam
hmdb:HMDB14821 biggM:M_mdz keggC:M_C07524 keggD:M_D00550 seedM:M_cpd04694 vmhM:M_mdz	secondary/obsolete/fantasy identifier