ノルダゼパム

ノルプラゼパム · 7-クロロ-5-(フェニル)-1H-1,4-ベンゾジアゼピン-2(3H)-オン · 1,3-ジヒドロ-7-クロロ-5-(フェニル)-2H-1,4-ベンゾジアゼピン-2-オン · ノルダゼパム · カルムダイ · 5-フェニル-7-クロロ-1H-1,4-ベンゾジアゼピン-2(3H)-オン · 7-クロロ-5-フェニル-1,3-ジヒドロ-2H-1,4-ベンゾジアゼピン-2-オン · 5-[フェニル]-7-クロロ-1H-1,4-ベンゾジアゼピン-2(3H)-オン

https://huagongshe.com/ja/chemical/2997

識別子と物理属性

CAS No.	1088-11-5
分子式	C15H11ClN2O
平均分子量	270.71 g/mol
単同位体質量	270.05599065 g/mol
SMILES	O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1
InChIKey	AKPLHCDWDRPJGD-UHFFFAOYSA-N
PubChem CID	2997
ChEMBL	CHEMBL523
ChEBI	CHEBI:111762
EC No.	214-123-4
DTXSID	DTXSID2049000
現地名	ノルダゼパム

化学・物理的性質

XLogP	2.9
極性表面積	41.5
水素結合供与体数	1
水素結合受容体数	2
回転可能結合数	1
重原子数	19
形式電荷	0
複雑度	376
物質分類	Pharmaceutical
医薬品	DEA NFLIS-Drug Category -> BenzodiazepinesDEA Schedule IV Controlled Substance -> DepressantsPharmaceuticals -> BenzodiazepinesPharmaceuticals -> Synthetic Cannabinoids or Psychoactive CompoundsPharmaceuticals -> Listed in ZINC15
溶解度	>40.6 [ug/mL] (The mean of the results at pH 7.4)DMSO：>10mg/mL
Human Drugs	Pharmaceuticals
Collision Cross Section	160.1 Å² [M+H]+ [CCS Type: TWMethod: Major Mix IMS/Tof Calibration Kit (Waters)]
融点	208-210°C
沸点	453.1±45.0 °C(Predicted)
密度	1.2576 (rough estimate)
屈折率	1.6330 (estimate)
引火点	11 °C
貯蔵条件	2-8°C
pKa（酸解離定数）	pKa 3.5 12.0 (5%MeOH in H2O t=20 I=0.15) (Uncertain)
外観・状態	ニート＆_＆パウダー
色	白から薄い黄褐色
主な用途	臨床検査
InChI	1S/C15H11ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
InChIKey	AKPLHCDWDRPJGD-UHFFFAOYSA-N
SMILES	Clc1ccc2NC(=O)CN=C(c3ccccc3)c2c1
LogP（分配係数）	2.930
NISTの化学物質情報	Nordazepam(1088-11-5)
EPAの化学物質情報	2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-phenyl- (1088-11-5)

化学的特性

Off-White Solid

安全性と法規制

GHS 分類	This chemical does not meet GHS hazard criteria for 8.3% (4 of 48) of reports.WarningH302 (89.6%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 4 notifications to the ECHA C&L Inventory.
規制情報	DEA schedule IV controlled substanceStatus: Active Update: 04-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/216232H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-phenyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Acute Tox. 4 (89.6%)
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.