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74517-78-5 molecular structure
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9-{3-[(propan-2-yl)amino]propyl}-9H-fluorene-9-carboxamide

ChemBase ID: 77
Molecular Formular: C20H24N2O
Molecular Mass: 308.41736
Monoisotopic Mass: 308.1888634
SMILES and InChIs

SMILES:
O=C(N)C1(CCCNC(C)C)c2c(c3c1cccc3)cccc2
Canonical SMILES:
CC(NCCCC1(C(=O)N)c2ccccc2c2c1cccc2)C
InChI:
InChI=1S/C20H24N2O/c1-14(2)22-13-7-12-20(19(21)23)17-10-5-3-8-15(17)16-9-4-6-11-18(16)20/h3-6,8-11,14,22H,7,12-13H2,1-2H3,(H2,21,23)
InChIKey:
UCEWGESNIULAGX-UHFFFAOYSA-N

Cite this record

CBID:77 http://www.chembase.cn/molecule-77.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
9-{3-[(propan-2-yl)amino]propyl}-9H-fluorene-9-carboxamide
IUPAC Traditional name
indecainide
Brand Name
Decabid
Synonyms
Ricainid
Ricainide
Indecainidum [Latin]
Indecainida [Spanish]
9-(3-(Isopropylamino)propyl)-9-fluorenylcarboxamid
9-(3-(Isopropylamino)propyl))fluorene-9-carboxamide
Indecainide
CAS Number
74517-78-5
PubChem SID
46506714
160963540
PubChem CID
52195

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 52195 external link
DrugBank DB00192 external link
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
Acid pKa 16.50598  H Acceptors
H Donor LogD (pH = 5.5) 0.029690318 
LogD (pH = 7.4) 0.4556179  Log P 3.2623758 
Molar Refractivity 94.0462 cm3 Polarizability 38.09791 Å3
Polar Surface Area 55.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
Log P 3.24  LOG S -5.54 
Solubility (Water) 8.96e-04 g/l 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Solubility
1.88 mg/L expand Show data source
Hydrophobicity(logP)
3.8 expand Show data source

DETAILS

DETAILS

DrugBank DrugBank
DrugBank - DB00192 external link
Item Information
Drug Groups approved
Description Indecainide is a rarely used antidysrhythmic. Indecainide has local anesthetic activity and belongs to the membrane stabilizing (Class 1) group of antiarrhythmic agents; it has electrophysiologic effects characteristic of the IC class of antiarrhythmics.
Indication For the treatment of life-threatening dysrhythmias and sustained ventricular tachycardia.
Pharmacology Indecainide is a rarely used antidysrhythmic. Indecainide has local anesthetic activity and belongs to the membrane stabilizing (Class 1) group of antiarrhythmic agents; it has electrophysiologic effects characteristic of the IC class of antiarrhythmics.
Toxicity When given orally to either young adult rats or mice, the LD50 was 100 mg/kg. Symptoms of overdose include nausea and vomiting, convulsions, hypotension, bradycardia, syncope, extreme widening of the QRS complex, widening of the QT interval, widening of the PR interval, ventricular tachycardia, AV nodal block, asystole, bundle branch block, cardiac failure, and cardiac arrest.
Affected Organisms
Humans and other mammals
Absorption Nearly complete following oral administration.
References
Giardina EV, Saroff AL, Schneider M: Effect of indecainide in patients with left ventricular dysfunction. Clin Pharmacol Ther. 1990 Nov;48(5):582-9. [Pubmed]

REFERENCES

REFERENCES

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  • • Giardina EV, Saroff AL, Schneider M: Effect of indecainide in patients with left ventricular dysfunction. Clin Pharmacol Ther. 1990 Nov;48(5):582-9. Pubmed
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PATENTS

PATENTS

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INTERNET

INTERNET

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