基本情報
- CAS
101345-71-5- 標準SMILES
CCn1nnn(CCN2CC[C@H](N(C(=O)COC)c3ccccc3F)[C@H](C)C2)c1=O- InChIKey
KKMGCTVJCQYQPV-WBVHZDCISA-N- 分子式
- C20H29FN6O3
- 平均分子量
- 420.5 g/mol
- 単同位体質量
- 420.22851697
概要
Brifentanil (also known as A-3331) is an analog of fentanyl, a potent opioid. This drug is classified as an opioid analgesic and was developed in the early 1990s. The effects of brifentanil are very similar to those of alfentanil, with strong but short lasting analgesia and sedation, and particularly notable itching and respiratory depression.
名称と識別子
- 優先名称
- Brifentanil
- IUPAC
- N-[(3R,4S)-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-3-methylpiperidin-4-yl]-N-(2-fluorophenyl)-2-methoxyacetamide
名称と別名
BRIFENTANILBrifentanilumBrifentanilo101345-71-5Brifentanyl6GDT77PQBWDTXSID20143867A-3331-1-(2-(4-ethyl-4,5-dihydro-5-oxo1H-tetrazolyl)ethyl)-3-methyl-4-(N-(2-fluorophenyl)methoxyacetamido)piperidineAcetamide, N-(1-(2-(4-ethyl-4,5-dihydro-5-oxo-1H-tetrazol-1-yl)ethyl)-3-methyl-4-piperidinyl)-N-(2-fluorophenyl)-2-methoxy-, cis-RefChem:121424A3331
名称をさらに表示
DTXCID7066358N-((3R,4S)-1-(2-(4-ethyl-5-oxo-4,5-dihydro-1H-1,2,3,4-tetrazol-1-yl)ethyl)-3-methylpiperidin-4-yl)-N-(2-fluorophenyl)-2-methoxyacetamideBrifentanil [INN]N-[(3R,4S)-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-3-methylpiperidin-4-yl]-N-(2-fluorophenyl)-2-methoxyacetamideN-[(3S,4R)-1-[2-(4-Ethyl-5-oxotetrazol-1-yl)ethyl]-3-methylpiperidin-4-yl]-N-(2-fluorophenyl)-2-methoxyacetamideUNII-6GDT77PQBWBrifentanilum [INN-Latin]Brifentanilo [INN-Spanish]
データベース識別子
- CAS
101345-71-5- PubChem CID
- 60672
- DTXSID
DTXSID20143867- ChEMBL
CHEMBL2220476- UNII
- 6GDT77PQBW
物性
構造計算による物性
- XLogP
- 2.7
- 極性表面積
- 81.1 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 7
- 回転可能結合数
- 8
- 重原子数
- 30
- 形式電荷
- 0
- 複雑度
- 636
実験および物理化学的性質
DrugsPharmaceuticals -> Listed in ZINC15
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