기본 정보
- CAS
14680-51-4- 표준 SMILES
CCN(CC)CCn1c(Cc2ccc(OC)cc2)nc2cc([N+](=O)[O-])ccc21- InChIKey
HNGZTLMRQTVPBH-UHFFFAOYSA-N- 분자식
- C21H26N4O3
- 평균 분자량
- 382.5 g/mol
- 단동위원소 질량
- 382.2004907
개요
Metonitazene is a member of the class of benzimidazoles that is 1H-benzimidazole substituted by 2-(diethylamino)ethyl, 4-methoxybenzyl, and nitro groups at positions 1, 2, and 5, respectively. It is a synthetic opioid. It has a role as an opioid analgesic and a mu-opioid receptor agonist. It is a member of benzimidazoles, a monomethoxybenzene, a C-nitro compound and a tertiary amino compound.
이름 및 식별자
- 우선 이름
- Metonitazene
- IUPAC
- N,N-diethyl-2-[2-[(4-methoxyphenyl)methyl]-5-nitrobenzimidazol-1-yl]ethanamine
- 영어명
- Metonitazene
- 분자식
- C21H26N4O3
- 분자량
- 382.46
이름 및 동의어
metonitazene14680-51-4A7FF4K4CWBDEA NO. 9757DTXSID901336445N,N-diethyl-2-[2-[(4-methoxyphenyl)methyl]-5-nitrobenzimidazol-1-yl]ethanamineN,N-diethyl-2-(2-((4-methoxyphenyl)methyl)-5-nitrobenzimidazol-1-yl)ethanamineN,N-diethyl-2-(2-(4-methoxybenzyl)-5-nitro-1H-benzimidazol-1-yl)ethan-1-amineRefChem:158386DTXCID501766642UNII-A7FF4K4CWBCHEBI:234362
이름 더 보기
Metonitazen(4-methoxyphenyl)methylMetonitaniMetanitazene1H-Benzimidazole-1-ethanamine, N,N-diethyl-2-[(4-methoxyphenyl)methyl]-5-nitro-
Benzimidazole, 1-(2-(diethylamino)ethyl)-2-(p-methoxybenzyl)-5-nitro-N,N-Diethyl-2-((4-methoxyphenyl)methyl)-5-nitro-1H-benzimidazole-1-ethanamineN,N-diethyl-2-[(4-methoxyphenyl)methyl]-5-nitro-1H-benzimidazole-1-ethanamine1H-Benzimidazole-1-ethanamine, N,N-diethyl-2-((4-methoxyphenyl)methyl)-5-nitro-1-(Diethylamino)ethyl-2-(4-methoxybenzyl)-5-nitrobenzimidazoleEpitope ID:2278939SCHEMBL30658738PAA68051
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 76.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 489
실험 및 물리화학적 성질
Drugs
DEA NFLIS-Drug Category -> Narcotic Analgesics
DEA Schedule I Controlled Substance -> Opiates
물리화학적 성질
- 끓는 점
- 571.8 · 571.8±45.0 °C(Predicted)
- 밀도
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- 용해도
- 25 mg/ml; · DMF: 25 mg/ml; DMF:PBS (pH 7.2) (1:1): 0.5 mg/ml; DMSO: 20 mg/ml; Ethanol: 10 mg/ml
- 산도 계수 (pKa)
- 9.9 · 9.90±0.25(Predicted)
- InChI
- InChI=1S/C21H26N4O3/c1-4-23(5-2)12-13-24-20-11-8-17(25(26)27)15-19(20)22-21(24)14-16-6-9-18(28-3)10-7-16/h6-11,15H,4-5,12-14H2,1-3H3
- InChIKey
- HNGZTLMRQTVPBH-UHFFFAOYSA-N
- SMILES
- C1(CC2=CC=C(OC)C=C2)N(CCN(CC)CC)C2=CC=C([N+]([O-])=O)C=C2N=1
화학적 성질
Metonitazene is classified as a novel opioid but is dissimilar from fentanyl and U-series analogues. This substance has been characterized as a white or off-white/beige powder, sometimes referred to as crystalline in consistency (Cayman Chemicals, 2020; Krotulski et al., 2021; PubChem, 2020). Both the free base and hydrochloride salt forms can appear as white or colored powders, while the citrate salt is described as a crystalline solid (Cayman, 2021a).
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationDEA schedule I controlled substance
안전 데이터
- 신호 어
- Danger
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H225
화학 및 산업
응용 분야
개요Metonitazene is an analgesic drug related to etonitazene and was first synthesized in the late 1950s by a Swiss chemical company in an effort to develop novel opioid alternatives to morphine. Metonitazene has been shown to have approximately 100 times the potency of morphine by central routes of administration, but if used orally it has been shown to have approximately 10 times the potency of morphine.
용도Metonitazene is an active analgesics with clinical applications.
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