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Meclonazepam
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Name

Meclonazepam

 EINECS 200-001-8
CAS No. 58662-84-3 Density 1.46 g/cm3
PSA 87.28000 LogP 3.52300
Solubility N/A Melting Point N/A
Formula C16H12ClN3O3 Boiling Point 522.1 °C at 760 mmHg
Molecular Weight 329.743 Flash Point 269.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 58662-84-3 (Meclonazepam) Hazard Symbols N/A
Synonyms

Ro 113128;Ro 11-3128;(4S)-6-(2-chlorophenyl)-4-methyl-9-nitro-2,5-diazabicyclo[5.4.0]undeca-5,8,10,12-tetraen-3-one;2H-1,4-Benzodiazepin-2-one,5-(2-chlorophenyl)- 1,3-dihydro-3-methyl-7-nitro-,(3S)-;Meclonazepam [INN];(+)-(S)-5-(o-Chlorophenyl)-1,3-dihydro-3-methyl-7-nitro-2H-1,4-benzodiazepin-2-one;2H-1,4-Benzodiazepin-2-one, 5-(2-chlorophenyl)-1,3-dihydro-3-methyl-7-nitro-, (S)-;Meclonazepamum [INN-Latin];Meclonazepam, (S)-isomer;

Article Data 4

Meclonazepam Specification

The CAS register number of Meclonazepam is 58662-84-3. It also can be called as (S)-5-(2-Chlorophenyl)-1,3-dihydro-3-methyl-7-nitro-2H-1,4-benzodiazepin-2-one and the IUPAC name about this chemical is (3S)-5-(2-chlorophenyl)-3-methyl-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one. The molecular formula about this chemical is C16H12ClN3O3 and the molecular weight is 329.74. This chemical is a drug. It has sedative and anxiolytic actions like those of other benzodiazepines, and also it has anti-parasitic effects against the parasitic worm Schistosoma mansoni.

Physical properties about Meclonazepam are: (1)ACD/LogP: 2.83; (2)ACD/LogD (pH 5.5): 2.83; (3)ACD/LogD (pH 7.4): 2.83; (4)ACD/BCF (pH 5.5): 83.3; (5)ACD/BCF (pH 7.4): 83.31; (6)ACD/KOC (pH 5.5): 824.9; (7)ACD/KOC (pH 7.4): 824.95; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 78.49Å2; (12)Index of Refraction: 1.686; (13)Molar Refractivity: 85.67 cm3; (14)Molar Volume: 225.1 cm3; (15)Polarizability: 33.96x10-24cm3; (16)Surface Tension: 57.4 dyne/cm; (17)Enthalpy of Vaporization: 79.55 kJ/mol; (18)Boiling Point: 522.1 °C at 760 mmHg; (19)Vapour Pressure: 5.34E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c3cc\1c(NC(=O)[C@@H](/N=C/1c2ccccc2Cl)C)cc3
(2)InChI: InChI=1/C16H12ClN3O3/c1-9-16(21)19-14-7-6-10(20(22)23)8-12(14)15(18-9)11-4-2-3-5-13(11)17/h2-9H,1H3,(H,19,21)/t9-/m0/s1
(3)InChIKey: LMUVYJCAFWGNSY-VIFPVBQEBQ
(4)Std. InChI: InChI=1S/C16H12ClN3O3/c1-9-16(21)19-14-7-6-10(20(22)23)8-12(14)15(18-9)11-4-2-3-5-13(11)17/h2-9H,1H3,(H,19,21)/t9-/m0/s1
(5)Std. InChIKey: LMUVYJCAFWGNSY-VIFPVBQESA-N