Chemical Properties of Chlordiazepoxide (CAS 58-25-3)

InChI

InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)

InChI Key

ANTSCNMPPGJYLG-UHFFFAOYSA-N

Formula

C16H14ClN3O

SMILES

CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1

Molecular Weight¹

299.75

CAS

58-25-3

Other Names

• 3H-1,4-Benzodiazepin-2-amine, 7-chloro-N-methyl-5-phenyl-, 4-oxide
• 3H-1,4-Benzodiazepine, 2-methylamino-7-chloro-5-phenyl-4-oxide
• 3H-1,4-Benzodiazepine, 7-chloro-2-(methylamino)-5-phenyl-, 4-oxide
• 7-Chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazepin-4-oxide
• 7-Chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazepine 4-oxide
• 7-Cloro-2-metilamino-5-fenil-3H-1,4-benzodiazepina 4-ossido
• 7-chloro-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-amine 4-oxide
• Abboxide
• Balance
• Balance (pharmaceutical)
• Benzodiazepine-4-oxide, 7-chloro-2-methylamino-5-phenyl-3H-1,4-
• CDO
• Chloradiazepoxide
• Chlordiazepoxid
• Chloridazepoxide
• Chloridiazepide
• Chloridiazepoxide
• Chlorodiazepoxide
• Chlozepid
• Clopoxide
• Clordiazepossido
• Control
• Decacil
• Eden
• Elenium
• Helogaphen
• Ifibrium
• Kalmocaps
• Librelease
• Librinin
• Libritabs
• Menrium
• Mesural
• Methaminodiazepoxide
• Mildmen
• Multum
• Napoton
• Napton
• Psicosan
• Radepur
• Risolid
• Silibrin
• Tropium
• Viopsicol

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-3.39		Aq. Sol...
logPoct/wat	2.951		Crippen Calculated Property
McVol	217.370	ml/mol	McGowan Calculated Property
Inp	[2742.00; 2926.40]
Inp	2815.00		NIST
Inp	2774.00		NIST
Inp	2809.00		NIST
Inp	2825.00		NIST
Inp	2780.00		NIST
Inp	Outlier 2926.40		NIST
Inp	2798.00		NIST
Inp	2764.00		NIST
Inp	2778.00		NIST
Inp	2778.00		NIST
Inp	2774.00		NIST
Inp	2799.00		NIST
Inp	2815.00		NIST
Inp	2815.00		NIST
Inp	2808.00		NIST
Inp	2820.00		NIST
Inp	2820.00		NIST
Inp	2742.00		NIST
Inp	2799.00		NIST
Inp	2742.00		NIST
Inp	2780.00		NIST
Tfus	509.25	K	Aq. Sol...

Similar Compounds

Find more compounds similar to Chlordiazepoxide.

Mixtures

• Chlordiazepoxide + Water
• Ethanol + Chlordiazepoxide
• Ethanol + Chlordiazepoxide + Water
• Propylene Glycol + Chlordiazepoxide + Water

Sources

• Crippen Method
• Solubility of Chlordiazepoxide, Diazepam, and Lorazepam in Ethanol + Water Mixtures at 303.2 K
• Solubility of 7-Chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazepine-4-oxide, 7-Chloro-1,3-dihydro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one, and 7-Chloro-5-(2-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one in (Propane-1,2-diol + Water) at a Temperature of 303.2 K
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.