Nimetazepam

Elimin · Hypnon · S 1530 · ro5-3453 · Nimetazam · NIMETAZEPAM · N-Methylmogadon · Nimetazepam (CRM)

식별자 및 물리적 특성

CAS No.	2011-67-8
분자식	C16H13N3O3
평균 분자량	295.29 g/mol
단동위원소 질량	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

화학 및 물리적 성질

XLogP	2.2
극성 표면적	78.5
수소 결합 공여자 수	0
수소 결합 수용자 수	4
회전 가능 결합 수	1
무거운 원자 수	22
형식 전하	0
복잡도	480
의약품	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]
녹는점	156.5-157.5°
끓는 점	436.98°C (rough estimate)
밀도	1.1952 (rough estimate)
굴절률	1.6500 (estimate)
인화점	9℃
저장 조건	-20°C
용해도	클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태	고체
pKa(산도 계수)	pKa 2.53(EtOH/H2O,t =25,Iundefined) (Uncertain)
색상	연한 노란색에서 진한 노란색까지
NIST	Nimetazepam(2011-67-8)

화학적 성질

Dark yellow Solid

안전 및 규제

GHS 분류	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.
규제 정보	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.
독성 요약	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).
수질 위해 등급(WGK)	1
운송 번호(UN)	UN1230 - class 3 - PG 2 - Methanol, solution
독성	LD50 in male, female mice, rats (mg/kg): 910, 750, 1150, 970 orally970, 840, 970, 980 i.p.1500, 1500, 1000, 1000 s.c. (Sakai)
위험 문구(R)	11-23/24/25-39/23/24/25
위험 표시	F,T
안전 문구(S)	16-36/37-45
DEA Controlled Substances	CSCN: 2837CSA SCH: Schedule IVNARC: No

용도

Sedative, hypnotic. Controlled substance.