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586-60-7 molecular structure
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1-(4-butoxyphenyl)-3-(piperidin-1-yl)propan-1-one

ChemBase ID: 527
Molecular Formular: C18H27NO2
Molecular Mass: 289.41248
Monoisotopic Mass: 289.20417911
SMILES and InChIs

SMILES:
O=C(CCN1CCCCC1)c1ccc(OCCCC)cc1
Canonical SMILES:
CCCCOc1ccc(cc1)C(=O)CCN1CCCCC1
InChI:
InChI=1S/C18H27NO2/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19/h7-10H,2-6,11-15H2,1H3
InChIKey:
BZEWSEKUUPWQDQ-UHFFFAOYSA-N

Cite this record

CBID:527 http://www.chembase.cn/molecule-527.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(4-butoxyphenyl)-3-(piperidin-1-yl)propan-1-one
IUPAC Traditional name
dyclonine
Brand Name
Diclonia
Diclonina
Diclonina [INN-Spanish]
Dyclocaine
Dyclocainum
Dyclone
Dyclonin
Dyclonine HCL
Dyclonine hydrochloride
Dycloninum [INN-Latin]
Dyclothane
Tanaclone
Sucrets
Synonyms
Dyclonine
CAS Number
586-60-7
PubChem SID
46506697
160963990
PubChem CID
3180
CHEBI ID
4724
ATC CODE
N01BX02
R02AD04
CHEMBL
1201217
Chemspider ID
3068
DrugBank ID
DB00645
KEGG ID
D07881
Unique Ingredient Identifier
078A24Q30O
Wikipedia Title
Dyclonine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
Acid pKa 15.88437  H Acceptors
H Donor LogD (pH = 5.5) 0.9010787 
LogD (pH = 7.4) 2.6680264  Log P 3.6759984 
Molar Refractivity 87.068 cm3 Polarizability 33.962772 Å3
Polar Surface Area 29.54 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
Log P 4.11  LOG S -3.8 
Solubility (Water) 4.60e-02 g/l 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Solubility
Soluble (HCl salt) expand Show data source
Hydrophobicity(logP)
3.7 expand Show data source

DETAILS

DETAILS

DrugBank DrugBank Wikipedia Wikipedia
DrugBank - DB00645 external link
Item Information
Drug Groups approved
Description Dyclonine is an oral anaesthetic found in Sucrets, an over the counter throat lozenge. It is also found in some varieties of the Cepacol sore throat spray.
Indication Used to provide topical anesthesia of accessible mucous membranes prior to examination, endoscopy or instrumentation, or other procedures involving the esophagus, larynx, mouth, pharynx or throat, respiratory tract or trachea, urinary tract, or vagina. Also used to suppress the gag reflex and/or other laryngeal and esophageal reflexes to facilitate dental examination or procedures (including oral surgery), endoscopy, or intubation. Also used for relief of canker sores, cold sores or fever blister.
Pharmacology Dyclonine is an oral anasthetic. If substantial quantities of local anesthetics are absorbed through the mucosa, actions on the central nervous system (CNS) may cause CNS stimulation and/or CNS depression. Actions on the cardiovascular system may cause depression of cardiac conduction and excitability and, with some of these agents, peripheral vasodilation.
Toxicity Symptoms of overdose include cardiovascular system depression, CNS toxicity, and methemoglobinemia.
Affected Organisms
Humans and other mammals
Absorption Readily absorbed through mucous membranes into the systemic circulation. The rate of absorption is influenced by the vascularity or rate of blood flow at the site of application, the total dosage (concentration and volume) administered, and the duration of exposure. Absorption from mucous membranes of the throat or respiratory tract may be especially rapid.
Half Life Approximately 30 to 60 minutes.
External Links
Wikipedia
Drugs.com

REFERENCES

REFERENCES

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PATENTS

PATENTS

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