기본 정보
- CAS
101345-71-5- 표준 SMILES
CCn1nnn(CCN2CC[C@H](N(C(=O)COC)c3ccccc3F)[C@H](C)C2)c1=O- InChIKey
KKMGCTVJCQYQPV-WBVHZDCISA-N- 분자식
- C20H29FN6O3
- 평균 분자량
- 420.5 g/mol
- 단동위원소 질량
- 420.22851697
개요
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.
이름 및 식별자
- 우선 이름
- Brifentanil
- IUPAC
- N-[(3R,4S)-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-3-methylpiperidin-4-yl]-N-(2-fluorophenyl)-2-methoxyacetamide
이름 및 동의어
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
이름 더 보기
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]
데이터베이스 식별자
- CAS
101345-71-5- PubChem CID
- 60672
- DTXSID
DTXSID20143867- ChEMBL
CHEMBL2220476- UNII
- 6GDT77PQBW
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 81.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 636
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
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