RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0156337
RefMet name	Trospium
Systematic name	(1S,3R,5R)-3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-8??-azaspiro[bicyclo[3.2.1]octane-8,1'-pyrrolidin]-8-ylium
Synonyms	PubChem Synonyms
Exact mass	392.222020 (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+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C25H30NO3	View other entries in RefMet with this formula
Molecular descriptors
Molfile	144955 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C25H30NO3/c27-24(25(28,19-9-3-1-4-10-19)20-11-5-2-6-12-20)29-23-17-21-13-14-22(18-23)26(21)15-7-8-16-26/h1-6,9-12,21-23,2 8H,7-8,13-18H2/q+1/t21-,22+,23+
InChIKey	OYYDSUSKLWTMMQ-JKHIJQBDSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	c1ccc(cc1)C(c1ccccc1)(C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]12CCCC1)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Benzenoids
Main Class	Benzenes
Sub Class	Diphenylmethanes
Distribution of Trospium in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Trospium
External Links
Pubchem CID	5284632
ChEBI ID	145791
HMDB ID	HMDB0014354
Drugbank DB	DB00209
Spectral data for Trospium standards
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)