기본 정보
- CAS
469-79-4- 표준 SMILES
CCC(=O)C1(c2cccc(O)c2)CCN(C)CC1- InChIKey
ALFGKMXHOUSVAD-UHFFFAOYSA-N- 분자식
- C15H21NO2
- 평균 분자량
- 247.33 g/mol
- 단동위원소 질량
- 247.15722891
개요
Ketobemidone is a member of piperidines.
이름 및 식별자
- 우선 이름
- Ketobemidone
- IUPAC
- 1-[4-(3-hydroxyphenyl)-1-methylpiperidin-4-yl]propan-1-one
- 현지명
- 케토비마이돈
- 영어명
- ketobemidone
- 분자식
- C15H21NO2
- 분자량
- 247.33
이름 및 동의어
KetobemidoneCetobemidoneCliradoneCliradonA 21 LundbeckCetobemidonCiba 7115469-79-4CetobemidonaCetobemidonumChetobemidone1-[4-(3-hydroxyphenyl)-1-methylpiperidin-4-yl]propan-1-one
이름 더 보기
케토비마이돈케토베미돈K 4710K 4710-d3NSC 117863Ciba 7115-d3
4-(m-Hydroxyphenyl)-1-methyl-4-propionylpiperidinePQS1L514CF1-(4-(m-Hydroxyphenyl)-1-methyl-4-piperidyl)-1-propanoneNSC-117863IDS-NK-001IDS-NK-001(SECT.3)1-[4-(m-Hydroxyphenyl)-1-methyl-4-piperidyl]-1-propanone1-(4-(3-Hydroxyphenyl)-1-methyl-4-piperidinyl)-1-propanone
데이터베이스 식별자
- CAS
469-79-4- PubChem CID
- 10101
- DTXSID
DTXSID00196977- ChEMBL
CHEMBL47072- ChEBI
CHEBI:6125- UNII
- PQS1L514CF
- EC Number
- 207-421-0
- Nikkaji
- J5.929C
물성
구조 계산 물성
- XLogP
- 1
- 극성 표면적
- 40.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 295
실험 및 물리화학적 성질
Drugs
DEA NFLIS-Drug Category -> Narcotic Analgesics
DEA Schedule I Controlled Substance -> Opiates
Pharmaceuticals -> Listed in ZINC15
Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
LogP1.0
Melting Point156.5 °C
Physical DescriptionSolid
Collision Cross Section159.7 Ų [M+H]+ [CCS Type: TW; Method: Major Mix IMS/Tof Calibration Kit (Waters)]
물리화학적 성질
- 녹는점
- 156 · 156-157°
- 끓는 점
- 390.37 °C · 390.37°C (rough estimate)
- 밀도
- 1.0267 · 1.0267 (rough estimate)
- 굴절률
- 1.513 · 1.5130 (estimate)
- 용해도
- 물에 잘 녹고, 에탄올(96%)에 잘 녹으며, 염화메틸렌에는 아주 약간 녹습니다.
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 8.52 · pKa 8.52/9.65(H2O) (Uncertain)
- 색상
- 페일베이지부터 라이트베이지까지
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationDEA schedule I controlled substance
화학 및 산업
약리 정보
ATC Code
N - Nervous system
QN - Nervous system
Mechanism of Action
Ketobemidone (Cliradon, Ketogan, Ketodur, Cymidon, Ketorax, &c.) is a powerful opioid analgesic. It also has some NMDA-antagonist properties. This makes it useful for some types of pain that don't respond well to other opioids. The most commonly cited equalisation ratio for analgesic doses is 25 mg of ketobemidone hydrobromide to 60 mg of morphine hydrochloride or sulfate and circa 8 mg of ketobemidone by injection.
Biological Half-LifePlasma half-life: 2.42 +/- 0.41 h (m +/- SD). Elimination half-life: 3.27 +/- 0.32 h
Metabolism/Metabolites
Ketobemidone is mainly metabolised by conjugation of the phenolic hydroxyl group, and by N-desmethylation. Only about 13-24% is excreted unchanged after iv. administration.
Ketobemidone has known human metabolites that include Ketobemidone O-glucuronide, Norketobemidone, and Ketobemidone sulfate.
MeSH Pharmacological Classification
Compounds with activity like OPIATE ALKALOIDS, acting at OPIOID RECEPTORS. Properties include induction of ANALGESIA or NARCOSIS.
Drugs that bind to but do not activate excitatory amino acid receptors, thereby blocking the actions of agonists.
Absorption, Distribution and Excretion34% (oral), 44% (rectal)
Cellular LocationsMembrane
Metabolite PathwaysKetobemidone Action Pathway
응용 분야
용도ketobemidone is an opioid analgesic. Used as a substitute to morphine for postoperative pain in children.
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