N-Phenyl-N-(1-(2-phenylethyl)-4-piperidinyl)butanamide
基本情報
- CAS
1169-70-6- 標準SMILES
CCCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1- InChIKey
QQOMYEQLWQJRKK-UHFFFAOYSA-N- 分子式
- C23H30N2O
- 平均分子量
- 350.5 g/mol
- 単同位体質量
- 350.23581359
概要
Butyrfentanyl is a monocarboxylic acid amide resulting from the formal condensation of the aryl amino group of N-phenyl-1-(2-phenylethyl)piperidin-4-amine with butanoic acid. It is a fentanyl analog that is used as a recreational drug. It has a role as an opioid analgesic and a mu-opioid receptor agonist. It is an anilide, a member of piperidines, a monocarboxylic acid amide and a tertiary amino compound.
名称と識別子
- 優先名称
- N-Phenyl-N-(1-(2-phenylethyl)-4-piperidinyl)butanamide
- IUPAC
- N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
名称と別名
ButyrfentanylButyr-fentanyl1169-70-6Butyryl fentanylButyryl-fentanyl07V1H7R6ZNN-(1-Phenethylpiperidin-4-yl)-N-phenylbutyramideN-Phenyl-N-(1-(2-phenylethyl)-4-piperidinyl)butanamideNIH-10486 FREE BASEDTXSID30347410N-(1-phenylethyl)-4-piperidinyl)-N-phenylbutyramideN-Phenyl-N-[1-(2-phenylethyl)-4-piperidinyl]butanamide
名称をさらに表示
RefChem:571886DTXCID20298482Butanamide, N-phenyl-N-[1-(2-phenylethyl)-4-piperidinyl]-ButyrylfentanylBUTYRLFENTANYLN-PHENYL-N-[1-(2-PHENYLETHYL)PIPERIDIN-4-YL]BUTANAMIDEUNII-07V1H7R6ZNCHEBI:233557
データベース識別子
- CAS
1169-70-6- PubChem CID
- 621174
- DTXSID
DTXSID30347410- ChEMBL
CHEMBL4759342- ChEBI
CHEBI:233557- UNII
- 07V1H7R6ZN
- EC Number
- 971-124-9
- Nikkaji
- J1.129.866D
物性
構造計算による物性
- XLogP
- 4.4
- 極性表面積
- 23.6 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 7
- 重原子数
- 26
- 形式電荷
- 0
- 複雑度
- 404
実験および物理化学的性質
Drugs
DEA NFLIS-Drug Category -> Fentanyl and Fentanyl-related
DEA Schedule I Controlled Substance -> Opiates
Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
Pharmaceuticals -> Listed in ZINC15
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。
GHS分類
GHS Classification
Danger
H300+H310+H330 (50%): Fatal if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P203, P260, P261, P262, P264, P270, P271, P272, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P318, P319, P320, P321, P330, P333+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory InformationDEA schedule I controlled substance
Hazard Classes and CategoriesAcute Tox. 1 (100%)
化学と産業
薬理情報
Protein BindingProtein binding studies for butyrfentanyl have not been performed but due to its structural similarity with fentanyl it is likely highly bound to serum albumin and alpha-1-acid glycoprotein in circulation.
PharmacodynamicsData for the pharmacodynamics of butyrfentanyl are not readily available.
Mechanism of ActionButyrfentanyl is a µ opioid receptor agonist similar to fentanyl.
Biological Half-LifeData for the half life of butyrfentanyl are not readily available.
Metabolism/Metabolites
Butyrfentanyl can be N-dealkylated to nor-butyrfentanyl by CYP3A4 and CYP2D6, hydroxylated to (ω-1)-hydroxy-butyrfentanyl by CYP3A4, 4'-hydroxylated to 4'-hydroxy-butyrfentanyl, hydroxylated to ω-hydroxy-butyrfentanyl bye CYP2D6 or CYP3A4, or hydroxylated to β-hydroxy-butyrfentanyl by CYP3A4. ω-hydroxy-butyrfentanyl is further metabolized to ω-carboxy-butyrfentanyl while 4'-hydroxy-butyrfentanyl is further metabolized to 4'-hydroxy-3'-methoxy-butyrfentanyl. Many of these metabolites may undergo further conjugation reactions with glucuronic acid or sulfate.
Absorption, Distribution and Excretion
Data for the absorption of butyrfentanyl are not readily available.
The route of elimination of butyrfentanyl has not been well described in the literature but most opioids are mainly eliminated in the urine.
Data for the volume of distribution of butyrfentanyl are not readily available.
Data for the clearance of butyrfentanyl are not readily available.
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