RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0157141
RefMet name	Levomethadyl Acetate
Systematic name	(3S,6S)-6-(dimethylamino)-4,4-diphenylheptan-3-yl acetate
Synonyms	PubChem Synonyms
Exact mass	353.235479 (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	C23H31NO2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	43439 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3/t18-,22-/ m0/s1
InChIKey	XBMIVRRWGCYBTQ-AVRDEDQJSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CC[C@@H](C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1)OC(=O)C Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Benzenoids
Main Class	Benzenes
Sub Class	Diphenylmethanes
Distribution of Levomethadyl Acetate 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 Levomethadyl Acetate
External Links
Pubchem CID	15130
ChEBI ID	6441
KEGG ID	C08012
HMDB ID	HMDB0015358
Chemspider ID	14401
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)