Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	61078
Common Name:	(R)-profenamine
Systematic Name:	(2R)-N,N-diethyl-1-(10H-phenothiazin-10-yl)propan-2-amine
RefMet Name:	Ethopropazine
Synonyms:	(R)-ethopropazine; (alphaR)-N,N-diethyl-alpha-methyl-10H-phenothiazine [PubChem Synonyms]
Exact Mass:	312.1660 (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:	C19H24N2S
InChIKey:	CDOZDBSBBXSXLB-OAHLLOKOSA-N
ClassyFire superclass:	Organoheterocyclic compounds
ClassyFire class:	Benzothiazines
ClassyFire subclass:	Phenothiazines
ClassyFire direct parent:	Phenothiazines
SMILES:	CCN(CC)[C@H](C)CN1c2ccccc2Sc2ccccc12
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	688098
CHEBI ID:	60348
HMDB ID:	HMDB0014536
Plant Metabolite Hub(Pmhub):	MS000242805

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
NPClassifier classification: "NPClassifier: A Deep Neural Network-Based Structural Classification Tool for Natural Products", Kim HW, Wang M, Leber CA, Nothias LF, Reher R, Kang KB, van der Hooft JJJ, Dorrestein PC, Gerwick WH and Cottrell GW. J Nat Prod. 2021 Nov 26;84(11):2795-2807.DOI: 10.1021/acs.jnatprod.1c00399.