Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	43386
Common Name:	Procarbazine
Systematic Name:	4-[(2-methylhydrazin-1-yl)methyl]-N-(propan-2-yl)benzamide
RefMet Name:	Procarbazine
Synonyms:	[PubChem Synonyms]
Exact Mass:	221.1528 (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:	C12H19N3O
InChIKey:	CPTBDICYNRMXFX-UHFFFAOYSA-N
ClassyFire superclass:	Benzenoids [C0002448]
ClassyFire class:	Benzene and substituted derivatives [C0002279]
ClassyFire subclass:	Benzoic acids and derivatives [C0000176]
ClassyFire direct parent:	Benzamides [C0000178]
Massbank MS spectra:	View MS spectra
SMILES:	CC(C)NC(=O)c1ccc(cc1)CNNC
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	4915
CHEBI ID:	71417
HMDB ID:	HMDB0015299
KEGG ID:	C07402
Chemspider ID:	4746
EPA CompTox DB:	DTXCID301189
Plant Metabolite Hub(Pmhub):	MS000008643

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