NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-4-ium-4-olate
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IUPAC Traditional name
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7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-4-ium-4-olate
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demoxepam
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Synonyms
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Nordazepam oxide
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Demoxepam
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Demoxepam
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7-Chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one 4-oxide5-Phenyl-7-chloro-3H-1,4-benzodiazepin-2(1H)-one 4-oxide
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7-Chloro-2,3-dihydro-5-phenyl-1H-1,4-benzodiazepin-2-one 4-oxide
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Chlordiazepoxide lactam
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NSC 169898
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NSC 46007
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NSC 46077
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Ro 5-2092
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CAS Number
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PubChem SID
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PubChem CID
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Chemspider ID
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KEGG ID
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Unique Ingredient Identifier
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Wikipedia Title
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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12.189041
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H Acceptors
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2
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H Donor
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1
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LogD (pH = 5.5)
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2.8952608
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LogD (pH = 7.4)
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2.8952541
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Log P
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2.8952608
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Molar Refractivity
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80.1531 cm3
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Polarizability
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29.050224 Å3
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Polar Surface Area
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57.85 Å2
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Rotatable Bonds
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1
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Lipinski's Rule of Five
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true
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DETAILS
DETAILS
Wikipedia
TRC
REFERENCES
REFERENCES
From Suppliers
Google Scholar
PubMed
Google Books
- • Coutinho, C.B. et al.: Biochem. Pharmacol., 18, 303 (1969)
- • Robichaud, R.C. et al.: Arch. Int. Pharmacol. Ther., 211, 165 (1969)
- • Sternbach, L.H. et al., J.O.C., 1961, 26, 4936, (synth)
- • Randell, L.O. et al., Curr. Ther. Res., Clin. Exp., 1965, 7, 590, (pharmacol)
- • Sadee, W., Arch. Pharm. (Weinheim, Ger.), 1969, 302, 769, (pmr)
- • Schwartz, M.A. et al., J. Pharm. Sci., 1970, 59, 1569; 1971, 60, 438, (metab)
- • Vane, F., Arch. Mass Spectral Data, 1971, 2, 712, (ms)
- • Robichaud, R.C. et al., Arch. Int. Pharmacodyn. Ther., 1974, 211, 165, (pharmacol)
- • Walser, A. et al., J. Het. Chem., 1974, 11, 619, (synth)
- • Levillain, P. et al., Eur. J. Med. Chem. (Chim. Ther.), 1975, 10, 433, (uv)
- • Kovar, K.A. et al., Arch. Pharm. (Weinheim, Ger.), 1983, 316, 834, (cmr)
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PATENTS
PATENTS
PubChem Patent
Google Patent