Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR01393
|
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| Drug Name |
Oxyphenonium
|
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| Synonyms |
Argicillin; Atrenyl; Hydroxymethylgramicidin; Methacin; Methocidin; Methocidine; Methocidinum; Metocidina; Oxiphenonum; Spastrex;Oxyphenonium Chloride; Oxyphenonium Iodide; Methocidin [DCF:INN]; Methocidine [INN-French]; Methocidinum [INN-Latin]; Metocidina [INN-Spanish]; [2-(2-Cyclohexyl-2-hydroxy-2-phenyl-acetoxy)-ethyl]-diethyl-methyl-ammonium; 2-((Cyclohexylhydroxyphenylacetyl)oxy)-N,N-diethyl-N-methylethanaminium; 2-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxyethyl-diethyl-methylazanium; 2-[2-cyclohexyl(hydroxy)phenylacetoxy]-n,n-diethyl-n-methylethanaminium
|
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| Drug Type |
Small molecular drug
|
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| Indication | Visceral spasms [ICD11:MD81.4] | Approved | [1] | |||
| Therapeutic Class |
Parasympatholytics
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| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C21H34NO3+
|
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| Canonical SMILES |
CC[N+](C)(CC)CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O
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| 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
|
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| InChIKey |
GFRUPHOKLBPHTQ-UHFFFAOYSA-N
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| CAS Number |
CAS 50-10-2
|
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| Pharmaceutical Properties | Molecular Weight | 348.5 | Topological Polar Surface Area | 46.5 | ||
| Heavy Atom Count | 25 | Rotatable Bond Count | 9 | |||
| Hydrogen Bond Donor Count | 1 | Hydrogen Bond Acceptor Count | 3 | |||
| XLogP |
4.1
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| PubChem CID | ||||||
| PubChem SID |
6786040
,6805132
,8153527
,10589783
,25687908
,29224786
,46508840
,50064410
,50421464
,57322928
,85209563
,92729657
,103113595
,104171383
,104310145
,105057325
,117579885
,124596745
,124883575
,124883576
,124968859
,127947311
,134338369
,134991339
,135263553
,137148160
,160963567
,164077978
,166265001
,178103831
,179225198
,179418658
,215721396
,226599816
|
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| ChEBI ID |
CHEBI:94329
|
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | 1-Oct | Transporter Info | Organic cation transporter 1 | Substrate | [2] | |
| References | ||||||
| 1 | Oxyphenonium was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | Identification of novel substrates and structure-activity relationship of cellular uptake mediated by human organic cation transporters 1 and 2. J Med Chem. 2013 Sep 26;56(18):7232-42. | |||||
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