NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
7-chloro-2-(methylamino)-5-phenyl-3H-1,4-benzodiazepin-4-ium-4-olate
|
|
|
IUPAC Traditional name
|
librium
|
7-chloro-2-(methylamino)-5-phenyl-3H-1,4-benzodiazepin-4-ium-4-olate
|
|
|
Synonyms
|
7-chloro-2-(methylamino)-5-phenyl-3H-benzo[e][1,4]diazepine 4-oxide
|
7-Chloro-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2amine-4-oxide
|
Azepoxide-d5
|
Clopoxide
|
Helogaphen
|
Libritabs
|
Multum
|
Risolid
|
Chlordiazepoxide
|
Alpoxid
|
Klopoxid
|
Librium
|
Librocol
|
Librelease
|
Limbitrol
|
Menrium
|
Novo-Poxide
|
Poxidium
|
Defobin
|
Elenium
|
Chlordiazepoxide
|
|
|
CAS Number
|
|
PubChem SID
|
|
PubChem CID
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
|
18.524357
|
H Acceptors
|
3
|
H Donor
|
1
|
LogD (pH = 5.5)
|
2.132898
|
LogD (pH = 7.4)
|
3.0075474
|
Log P
|
3.050551
|
Molar Refractivity
|
87.3403 cm3
|
Polarizability
|
31.523344 Å3
|
Polar Surface Area
|
53.14 Å2
|
Rotatable Bonds
|
1
|
Lipinski's Rule of Five
|
true
|
DETAILS
DETAILS
TRC
REFERENCES
REFERENCES
From Suppliers
Google Scholar
PubMed
Google Books
- • MacDonald, A., et al.: Anal. Profiles Drug Subs., 1, 15 (1972)
- • Greenblatt, D.J., et al.: Clin. Pharmacokinet., 3, 381 (1972)
- • Sternbach, L.H. et al., J.O.C., 1961, 26, 1111, (synth)
- • U.K. Pat., 1967, 1 074 217; CA, 67, 90838, (deriv)
- • Fales, H.M. et al., Arch. Mass Spectral Data, 1971, 2, 682, (ms)
- • MacDonald, A. et al., Anal. Profiles Drug Subst., 1972, 1, 15; 39, (rev)
- • Mattson, R.H., Antiepileptic Drugs, Raven Press, N.Y., 1972, 497, (rev, pharmacol)
- • Nedenskov, P. et al., Acta Chem. Scand., Ser. B, 1977, 31, 701, (synth)
- • Van der Kleijn, E. et al., Psychopharmacology (N.Y.), 1977, 2, 997, (rev, pharmacol)
- • Greenblatt, D.J. et al., Clin. Pharmacokinet., 1978, 3, 381, (rev)
- • Bertolasi, V. et al., Acta Cryst. B, 1982, 38, 1768, (cryst struct)
- • Negwer, M., Organic-Chemical Drugs and their Synonyms, 6th edn., Akademie-Verlag, 1987, 3870, (synonyms)
- • Benzodiazepines, Current Concepts, Biological, Clinical and Social Perspectives, (ed., Hindmarch, I., et al), J. Wiley, 1990, (book)
- • Benzodiazepine Dependence, (eds., Hallstrm, C.), Oxford University Press, 1993
- • Martindale, The Extra Pharmacopoeia, 30th edn., Pharmaceutical Press, 1993, 570
- • Lewis, R.J., Sax's Dangerous Properties of Industrial Materials, 8th edn., Van Nostrand Reinhold, 1992, LFK000; MDQ250
- Searching...Please wait...
PATENTS
PATENTS
PubChem Patent
Google Patent