NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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N-{[5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl]methyl}thiophene-3-carboxamide hydrochloride
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IUPAC Traditional name
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Synonyms
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N-[[5-(2-Fluorophenyl)-2,3-dihydro-1-methyl-1H-1,4-benzodiazepin-2-yl]methyl]-3-thiophenecarboxamide Hydrochloride
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(+/-)-Tifluadom Hydrochloride
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KC 5103
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dl-Tifluadom Hydrochloride
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Tifluadom Hydrochloride
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CAS Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
Data Source
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Data ID
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Price
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TRC
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CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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14.939311
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H Acceptors
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3
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H Donor
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1
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LogD (pH = 5.5)
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1.4379699
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LogD (pH = 7.4)
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3.095425
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Log P
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4.4644036
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Molar Refractivity
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111.1034 cm3
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Polarizability
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40.996613 Å3
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Polar Surface Area
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44.7 Å2
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Rotatable Bonds
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4
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Safety Information
Product Information
Bioassay(PubChem)
DETAILS
DETAILS
TRC
Toronto Research Chemicals -
T439400
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Tifluadom, a κ-opioid agonist and cholecystokinin-A (CCK-A) receptor antagonist, was utilized as a model to prepare a series of 2-(aminomethyl)- and 3-(aminomethyl)-1,4-benzodiazepines. |
REFERENCES
REFERENCES
From Suppliers
Google Scholar
PubMed
Google Books
- • Young, R., et al.: J. Med. Chem., 31, 656 (1988)
- • Colmenarejo, G., et al.: J. Med. Chem., 44, 4370 (1988)
- • Clark, D., et al.: J. Pharma. Sci., 88, 815 (1988)
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PATENTS
PATENTS
PubChem Patent
Google Patent