CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Melting Point | 225 °C |
| Solubility | >42.2 [ug/mL] (The mean of the results at pH 7.4) |
| LogP | 2.25 |
| LogS | -3.8 |
| Collision Cross Section | 163.6 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
| Kovats Retention Index | 2744 2720 2740 2765 2770 2770 2770 2770 2770 2770 2770 2770 2772 2775 2777 2778 2780 2780 2780 2780 2782 2788 2790 2790 2790 2794 2795 2795 2800 2800 2800 2820 2780 2720 2720 2755 2728 2740 2724 2740 2775 2765 2785 2750 2750 2755 2777.1 2777.6 2730 2750 2746 2720 2728 2740 2750 2720 2760 2750 2750 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral |
COMPUTED DESCRIPTORS
| Molecular Weight | 281.27 g/mol |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 281.08004122 g/mol |
| Monoisotopic Mass | 281.08004122 g/mol |
| Topological Polar Surface Area | 87.3 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 452 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Nitrazepam is a 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one which is substituted at positions 5 and 7 by phenyl and nitro groups, respectively. It is used as a hypnotic for the short-term management of insomnia and for the treatment of epileptic spasms in infants (West's syndrome). It has a role as an anticonvulsant, an antispasmodic drug, a GABA modulator, a sedative and a drug metabolite. It is a 1,4-benzodiazepinone and a C-nitro compound.