기본 정보
- CAS
90736-23-5- 표준 SMILES
CCC(=O)N(c1ccc(F)cc1)C1CCN(CCc2ccccc2)CC1- InChIKey
KXUBAVLIJFTASZ-UHFFFAOYSA-N- 분자식
- C22H27FN2O
- 평균 분자량
- 354.5 g/mol
- 단동위원소 질량
- 354.21074165
개요
4-fluorofentanyl is the monocarboxylic acid amide resulting from the formal condensation of the aryl amino group of N-(4-fluorophenyl)-1-(2-phenylethyl)piperidin-4-amine with propanoic acid. It has a role as an opioid analgesic and a mu-opioid receptor agonist. It is a member of piperidines, a monocarboxylic acid amide, a tertiary amino compound and a member of monofluorobenzenes.
이름 및 식별자
- 우선 이름
- N-(4-fluorophenyl)-N-(1-(2-phenylethyl)-4-piperidinyl)propanamide
- IUPAC
- N-(4-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
- 현지명
- p-플루오로펜탄일;N-(4-플루오로페닐)-N-(1-(2-페닐에틸)-4-피페리다이닐)프로판아마이드
- 영어명
- p-Fluoro Fentanyl
- 분자식
- C22H27FN2O
- 분자량
- 354.46
이름 및 동의어
p-Fluorofentanyl90736-23-54-FluorofentanylI45R05QM0ZDEA No. 9812CHEBI:61074N-(4-Fluorophenyl)-N-(1-(2-phenylethyl)-4-piperidinyl)propanamideN-(4-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamideIDS-NF-003IDS-NF-003(SECT.3)N-(4-Fluorophenyl)-N-[1-(2-phenylethyl)-4-piperidinyl]propanamidePropanamide, N-(4-fluorophenyl)-N-(1-(2-phenylethyl)-4-piperidinyl)-
이름 더 보기
p-플루오로펜탄일N-(4-플루오로페닐)-N-(1-(2-페닐에틸)-4-피페리다이닐)프로판아마이드p-Fluoro Fentanylp-Fluorofentanyl solution4-Fluorofentanyl, 4-FF, p-FFp-Fluoro Fentanyl (1.0mg/ml in Methanol)para-Fluoro Fentanyl (1 mg/ml in Methanol)
N-(4-fluorophenyl)-N-(1-(2-phenylethyl)piperidin-4-yl)propanamideRefChem:99019867-478-8Para-fluorofentanylparafluorofentanylN-(4-Fluorophenyl)-N-(1-phenethylpiperidin-4-yl)propionamideDTXSID0048929NCGC00247686-01
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 23.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 422
실험 및 물리화학적 성질
Drugs
DEA NFLIS-Drug Category -> Fentanyl and Fentanyl-related
DEA Schedule I Controlled Substance -> Opiates
Pharmaceuticals -> Listed in ZINC15
물리화학적 성질
- 녹는점
- 103 · 103-105C
- 끓는 점
- 479.2 · 479.2±45.0 °C(Predicted)
- 밀도
- 1.13 · 1.130±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · Controlled Substance, -20°C Freezer
- 산도 계수 (pKa)
- 8.91 · 8.91±0.20(Predicted)
화학적 성질
Off-White Solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
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]
P260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+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.
유해성 정보
Regulatory InformationDEA schedule I controlled substance
Hazard Classes and CategoriesAcute Tox. 1 (100%)
안전 데이터
- ridadr
- UN1230 - class 3 - PG 2 - Methanol, solution
- DEA Controlled Substances
- CSCN: 9812CSA SCH: Schedule INARC: Yes
화학 및 산업
응용 분야
용도Fentanyl analog. An opioid receptor. Controlled Substance
상·하류 제품 정보
상류 원료
추가 설명
정의ChEBI: The monocarboxylic acid amide resulting from the formal condensation of the aryl amino group of N-(4-fluorophenyl)-1-(2-phenylethyl)piperidin-4-amine with propanoic acid.
관련 반응
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