Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	52721
Common Name:	Nordazepam
Systematic Name:	7-chloro-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
RefMet Name:	Nordazepam
Synonyms:	1-Demethyldiazepam; 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; Chlordesmethyldiazepam; Dealkylprazepam; Desmethyldiazepam; N-Demethyldiazepam; N-Deoxydemoxepam; N-Desmethyldiazepam; N1-Desmethyldiazepam; Nordiazepam; Norprazepam [PubChem Synonyms]
Exact Mass:	270.0560 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C15H11ClN2O
InChIKey:	AKPLHCDWDRPJGD-UHFFFAOYSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Benzodiazepines [C0000295]
ClassyFire subclass:	1,4-benzodiazepines [C0004097]
ClassyFire direct parent:	1,4-benzodiazepines [C0004097]
MoNA MS spectra:	View MS spectra
SMILES:	c1ccc(cc1)C1=NCC(=O)Nc2ccc(cc12)Cl
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	2997
CHEBI ID:	111762
HMDB ID:	HMDB0060538
Plant Metabolite Hub(Pmhub):	MS000001851

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y