基本情報
- CAS
14680-51-4- 標準SMILES
CCN(CC)CCn1c(Cc2ccc(OC)cc2)nc2cc([N+](=O)[O-])ccc21- InChIKey
HNGZTLMRQTVPBH-UHFFFAOYSA-N- 分子式
- C21H26N4O3
- 平均分子量
- 382.5 g/mol
- 単同位体質量
- 382.2004907
概要
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.
名称と識別子
- 優先名称
- Metonitazene
- IUPAC
- N,N-diethyl-2-[2-[(4-methoxyphenyl)methyl]-5-nitrobenzimidazol-1-yl]ethanamine
- 英語名
- Metonitazene
- 分子式
- C21H26N4O3
- 分子量
- 382.46
名称と別名
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
名称をさらに表示
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
データベース識別子
- CAS
物性
構造計算による物性
- XLogP
- 3.9
- 極性表面積
- 76.1 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 5
- 回転可能結合数
- 8
- 重原子数
- 28
- 形式電荷
- 0
- 複雑度
- 489
実験および物理化学的性質
Drugs
DEA NFLIS-Drug Category -> Narcotic Analgesics
DEA Schedule I Controlled Substance -> Opiates
物理化学的性質
- 沸点
- 571.8 · 571.8±45.0 °C(Predicted)
- 比重(密度)
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- 溶解性
- 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
- 酸解離定数(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
化学的性質
化学的特性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).
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
危険有害性情報
Regulatory InformationDEA schedule I controlled substance
安全データ
- 危険有害性情報
- コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H225
化学と産業
応用分野
説明Metonitazene 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.
使用Metonitazene is an active analgesics with clinical applications.
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上流原料
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