ニメタゼパム

7-ニトロ-1-メチル-5-(フェニル)-1H-1,4-ベンゾジアゼピン-2(3H)-オン · 1-メチル-5-[フェニル]-7-ニトロ-1H-1,4-ベンゾジアゼピン-2(3H)-オン · ニメタゼパム · エリミン · 1-メチル-5-(フェニル)-7-ニトロ-1H-1,4-ベンゾジアゼピン-2(3H)-オン · N-メチルモガドン · ヒプノン · 1-メチルニトラゼパム

https://huagongshe.com/ja/chemical/4496

識別子と物理属性

CAS No.	2011-67-8
分子式	C16H13N3O3
平均分子量	295.29 g/mol
単同位体質量	295.09569128 g/mol
SMILES	CN1C(=O)CN=C(c2ccccc2)c2cc([N+](=O)[O-])ccc21
InChIKey	GWUSZQUVEVMBPI-UHFFFAOYSA-N
PubChem CID	4496
ChEMBL	CHEMBL13341
ChEBI	CHEBI:31912
EC No.	217-931-5
DTXSID	DTXSID6023369
現地名	ニメタゼパム

化学・物理的性質

XLogP	2.2
極性表面積	78.5
水素結合供与体数	0
水素結合受容体数	4
回転可能結合数	1
重原子数	22
形式電荷	0
複雑度	480
医薬品	DEA NFLIS-Drug Category -> BenzodiazepinesDEA Schedule IV Controlled Substance -> DepressantsPharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
Collision Cross Section	169.7 Å² [M+H]+ [CCS Type: DTMethod: single field calibrated]
融点	156.5-157.5°
沸点	436.98°C (rough estimate)
密度	1.1952 (rough estimate)
屈折率	1.6500 (estimate)
引火点	9℃
貯蔵条件	-20°C
溶解度	Chloroform (Slightly), Methanol (Slightly)
外観・状態	Solid
pKa（酸解離定数）	pKa 2.53(EtOH/H2O,t =25,Iundefined) (Uncertain)
色	Light Yellow to Dark Yellow
CAS データベース	2011-67-8(CAS DataBase Reference)
NISTの化学物質情報	Nimetazepam(2011-67-8)

化学的特性

Dark yellow Solid

安全性と法規制

GHS 分類	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
規制情報	DEA schedule IV controlled substance
Hazard Classes and Categories	Acute Tox. 4 (100%)
Treatment	General supportive measures should be employed, along with intravenous fluids, and an adequate airway maintained. Hypotension may be combated by the use of norepinephrine or metaraminol. Dialysis is of limited value. Flumazenil (Anexate) is a competitive benzodiazepine receptor antagonist that can be used as an antidote for benzodiazepine overdose. In particular, flumazenil is very effective at reversing the CNS depression associated with benzodiazepines but is less effective at reversing respiratory depression. Its use, however, is controversial as it has numerous contraindications. It is contraindicated in patients who are on long-term benzodiazepines, those who have ingested a substance that lowers the seizure threshold, or in patients who have tachycardia or a history of seizures. As a general rule, medical observation and supportive care are the mainstay of treatment of benzodiazepine overdose. Although benzodiazepines are absorbed by activated charcoal, gastric decontamination with activated charcoal is not beneficial in pure benzodiazepine overdose as the risk of adverse effects often outweigh any potential benefit from the procedure. It is recommended only if benzodiazepines have been taken in combination with other drugs that may benefit from decontamination. Gastric lavage (stomach pumping) or whole bowel irrigation are also not recommended.
毒性の概要	Benzodiazepines bind nonspecifically to benzodiazepine receptors BNZ1, which mediates sleep, and BNZ2, which affects affects muscle relaxation, anticonvulsant activity, motor coordination, and memory. As benzodiazepine receptors are thought to be coupled to gamma-aminobutyric acid-A (GABAA) receptors, this enhances the effects of GABA by increasing GABA affinity for the GABA receptor. Binding of the inhibitory neurotransmitter GABA to the site opens the chloride channel, resulting in a hyperpolarized cell membrane that prevents further excitation of the cell.
Carcinogen Classification	No indication of carcinogenicity to humans (not listed by IARC).

用途

使用

Sedative, hypnotic. Controlled substance.