Oxyphenonium

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Systematic / IUPAC Name: 2-[2-Cyclohexyl(hydroxy)phenylacetoxy]-N,N-diethyl-N-methylethanaminium

ID: Reference2458

Other Names: Methacin;
Oxiphenonum;
Argicillin;
Methocidin;
Hydroxymethylgramicidin ; more

Formula: C21H34NO3 +

Class: Therapeutics/Prescription Drugs Sports Doping Drugs

Spectral Data

Oxyphenonium mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 45
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 8/6/2015 6:58:33 AM
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Identificators

InChI InChI=1S/C21H34NO3/c1-4-22(3,5-2)16-17-25-20(23)21(24,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6,8-9,12-13,19,24H,4-5,7,10-11,14-17H2,1-3H3/q+1
InChI Key GFRUPHOKLBPHTQ-UHFFFAOYSA-N
Canonical SMILES CC[N+](C)(CC)CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O
CAS
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Other Names Methacin;
Oxiphenonum;
Argicillin;
Methocidin;
Hydroxymethylgramicidin;
Spasmophen;
Antrenyl;
Ethanaminium, 2-((cyclohexylhydroxyphenylacetyl)oxy)-N,N-diethyl-N-methyl-;
Antrenex;
Atrenex;
A-Spasm;
{2-[(2-Cyclohexyl-2-hydroxy-2-phenylacetyl)oxy]ethyl}diethylmethylazanium

In Other Databases

DrugBank DB00219
ChEMBL CHEMBL1201286
Wikipedia Oxyphenonium bromide
ChemIDPlus 003486393; 014214847
PubChem 5749
ChemSpider 5547