기본 정보
- CAS
15301-48-1- 표준 SMILES
CCC(=O)n1c(=O)n(C2CCN(CCC(C#N)(c3ccccc3)c3ccccc3)CC2)c2ccccc21- InChIKey
FLKWNFFCSSJANB-UHFFFAOYSA-N- 분자식
- C31H32N4O2
- 평균 분자량
- 492.6 g/mol
- 단동위원소 질량
- 492.25252628
개요
Bezitramide is a nitrile.
이름 및 식별자
- 우선 이름
- Bezitramide
- IUPAC
- 4-[4-(2-oxo-3-propanoylbenzimidazol-1-yl)piperidin-1-yl]-2,2-diphenylbutanenitrile
- 현지명
- 베지트라마이드
- 영어명
- bezitramide
- 분자식
- C31H32N4O2
- 분자량
- 492.61
이름 및 동의어
BEZITRAMIDEBurgodinBezitramida15301-48-1BezitramidumR-4845R 4845Bezitramide [INN:BAN:DCF]3KXW0Y310IIDS-NB-007N02AC051-(1-(3-Cyano-3,3-diphenylpropyl)-4-piperidyl)-3-propionyl-2-benzimidazolinone
이름 더 보기
베지트라마이드FLKWNFFCSSJANB-UHFFFAOYSA-N1-[1-(3-Cyano-3,3-diphenylpropyl)-4-piperidinyl]-1,3-dihydro-3-(1-oxopropyl)-2H-benzimidazol-2-one1-Piperidinebutanenitrile, 4-[2,3-dihydro-2-oxo-3-(1-oxopropyl)-1H-benzimidazol-1-yl]-α,α-diphenyl-
1-(3-Cyano-3,3-diphenylpropyl)-4-(2-oxo-3-propionyl-1-benzimidazolinyl)piperidineDTXSID90165197Bezitramide (INN:BAN:DCF)RefChem:119583DTXCID2087688239-335-44-(4-(2-oxo-3-propanoyl-2,3-dihydro-1H-1,3-benzodiazol-1-yl)piperidin-1-yl)-2,2-diphenylbutanenitrileBenzitramide
데이터베이스 식별자
- CAS
15301-48-1- PubChem CID
- 61791
- DTXSID
DTXSID90165197- ChEMBL
CHEMBL2104149
물성
구조 계산 물성
- XLogP
- 5
- 극성 표면적
- 67.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 827
실험 및 물리화학적 성질
Drugs
DEA NFLIS-Drug Category -> Narcotic Analgesics
DEA Schedule II Controlled Substance -> Opiates
Pharmaceuticals -> Listed in ZINC15
Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
LogP4.8
SolubilityPoor water solubility
Melting Point145-149 °C
물리화학적 성질
- 녹는점
- 145 · 145-149°; mp 124.5-126°
- 끓는 점
- 586.35 °C · 586.35°C (rough estimate)
- 밀도
- 1.147 · 1.1470 (rough estimate)
- 굴절률
- 1.6 · 1.6000 (estimate)
- 용해도
- 10 mg/ml · DMSO: Soluble: = 10 mg/ml
- 산도 계수 (pKa)
- 8.21 · 8.21±0.10(Predicted)
- 색상
- 백색의 결정성 분말
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationDEA schedule II controlled substance
안전 데이터
- 독성
- LD50 orally in mice, rats: 2101, 141 mg/kg (Janssen)
화학 및 산업
약리 정보
ATC Code
N - Nervous system
QN - Nervous system
Pharmacodynamics
Bezitramide acts in the body to relieve pain with a potency 20 times that of methadone. Its duration of action is relatively long, lasting up to 12 hours post oral administration, after the achievement of steady state. Its onset of action is slow, with a peak in analgesic effect noted between 2.5-3.5 hours after dosing. It is noted to illicit a strong antitussive effect, which could be of benefit to patients with bronchial carcinoma.
Biological Half-Life11-24h.
Metabolism/Metabolites
Bezitramide is a prodrug which undergoes rapid hydrolysis of a proprionyl-group to form the major metabolite, R-4618. R-4618 has analgesic properties similar to the parent compound. Metabolism occurs in the gastrointestinal tract under both acidic and alkaline conditions.
MeSH Pharmacological ClassificationCompounds capable of relieving pain without the loss of CONSCIOUSNESS.
Absorption, Distribution and Excretion
Bezitramide has poor water solubility, thus administration is restricted to the oral route.
Less than 0.3% of the dose was excreted unchanged in the urine. High concentrations in feces suggested incomplete absorption of biliary excretion. Experiments in rats demonstrated extensive (up to 70%) biliary excretion, and less than 3% urinary excretion.
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