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

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nordazepam

	Properties	Image
MNX_ID	MNXM64920
reference	chebi:111762
formula	C₁₅H₁₁ClN₂O
global charge	0
mol weight	270.719
InChIKey	AKPLHCDWDRPJGD-UHFFFAOYSA-N
InChI	InChI=1S/C15H11ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
SMILES	O=C1CN=C(C2=CC=CC=C2)C2=C(C=CC(Cl)=C2)N1

MNX internals

InChI (mnx)	InChI=1/C15H11ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:10]([C:15]2=[N:17][CH2:9][C:14]([OH:19])=[N:18][C:13]3=[C:12]2[CH:8]=[C:11]([Cl:16])[CH:6]=[CH:7]3)[CH:5]=[CH:3]1

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:111762 chebi:111762 AKPLHCDWDRPJGD-UHFFFAOYSA-N	nordazepam 1-Demethyldiazepam 7-Chloro-1,3-dihydro-5-phenyl-(2H)-1,4-benzodiazepin-2-one 7-Chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one 7-Chloro-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one 7-chloro-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one Chlordesmethyldiazepam Dealkylprazepam Desmethyldiazepam N-Demethyldiazepam N-Deoxydemoxepam N-Desmethyldiazepam N1-Desmethyldiazepam Nordiazepam Norprazepam nordazepamum
envipath:...b0f9357badf1 envipathM:...b0f9357badf1 AKPLHCDWDRPJGD-UHFFFAOYSA-N	7-Chloro-5-phenyl-3H-1,4-benzodiazepin-2-one
bigg.metabolite:C07486 biggM:C07486 AKPLHCDWDRPJGD-UHFFFAOYSA-N	Nordazepam
kegg.drug:D08283 keggD:D08283 AKPLHCDWDRPJGD-UHFFFAOYSA-N	Nordazepam (INN) Calmday (TN)
seed.compound:cpd04658 seedM:cpd04658 AKPLHCDWDRPJGD-UHFFFAOYSA-N	Nordazepam 7-Chloro-1,3-dihydro-5-phenyl-(2H)-1,4-benzodiazepin-2-one Desmethyldiazepam
kegg.compound:C07486 keggC:C07486 AKPLHCDWDRPJGD-UHFFFAOYSA-N	Nordazepam 7-Chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one Desmethyldiazepam
vmhM:C07486 vmhmetabolite:C07486 AKPLHCDWDRPJGD-UHFFFAOYSA-N	Nordazepam 7-chloro-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one
hmdb:HMDB0060538 AKPLHCDWDRPJGD-UHFFFAOYSA-N	Nordiazepam 1-Demethyldiazepam 7-Chloro-1,3-dihydro-5-phenyl-(2H)-1,4-benzodiazepin-2-one 7-Chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one 7-Chloro-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one 7-chloro-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one Calmday Chlordesmethyldiazepam Dealkylprazepam Demethyldiazepam Deoxydemoxepam Desmethyldiazepam N Desalkylhalazepam N Descyclopropylmethyl prazepam N Descyclopropylmethylprazepam N Destrifluoroethylhalazepam N-Demethyldiazepam N-Deoxydemoxepam N-Desalkylhalazepam N-Descyclopropylmethyl-prazepam N-Descyclopropylmethylprazepam N-Desmethyldiazepam N-Destrifluoroethylhalazepam N1-Desmethyldiazepam Nordaz Nordazepam Nordazepamum Norprazepam Tranxilium N Vegesan nordiazepam
hmdb:HMDB0061094 hmdb:HMDB60538 hmdb:HMDB61094 chebi:7624 biggM:M_C07486 keggC:M_C07486 keggD:M_D08283 seedM:M_cpd04658 vmhM:M_C07486	secondary/obsolete/fantasy identifier