Chemical Properties of Lormetazepam (CAS 848-75-9)

InChI

InChI=1S/C16H12Cl2N2O2/c1-20-13-7-6-9(17)8-11(13)14(19-15(21)16(20)22)10-4-2-3-5-12(10)18/h2-8,15,21H,1H3

InChI Key

FJIKWRGCXUCUIG-UHFFFAOYSA-N

Formula

C16H12Cl2N2O2

SMILES

CN1C(=O)C(O)N=C(c2ccccc2Cl)c2cc(Cl)ccc21

Molecular Weight¹

335.19

CAS

848-75-9

Other Names

• 2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(2-chlorophenyl)-1,3-dihydro-3-hydroxy-1-methyl-
• 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-(o-chlorophenyl)-3-hydroxy-1-methyl-
• 7-Chloro-5-(2-chlorophenyl)-3-hydroxy-1-methyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one
• Methyllorazepam
• N-Methyllorazepam
• Ro 5-5516
• 7-Chloro-5-(o-chlorophenyl)-1,3-dihydro-3-hydroxy-1-methyl-2H-1,4-benzodiazepin-2-one
• Ergocalm
• Loramet
• Noctamid
• WY 4082
• Noctamide

• 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	-3.57		Relay (1.0) Calculated Property
logPoct/wat	3.126		Crippen Calculated Property
McVol	225.500	ml/mol	McGowan Calculated Property
Inp	[2674.00; 2798.40]
Inp	2674.00		NIST
Inp	2703.00		NIST
Inp	2674.00		NIST
Inp	Outlier 2798.40		NIST
Inp	2717.00		NIST
Inp	2674.00		NIST
Inp	2703.00		NIST
Inp	2703.00		NIST
Inp	2753.00		NIST
Inp	2674.00		NIST
Inp	2717.00		NIST
Tfus	433.58	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to Lormetazepam.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen 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.
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