Nefopam

HCID 4450CAS 13669-70-0

기본 정보

표준 SMILES: CN1CCOC(c2ccccc2)c2ccccc2C1
InChIKey: RGPDEAGGEXEMMM-UHFFFAOYSA-N
분자식: C17H19NO
평균 분자량: 253.34 g/mol
단동위원소 질량: 253.14666423

개요

5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine is a member of the class of benzoxazocines that is 3,4,5,6-tetrahydro-1H-2,5-benzoxazocine substituted by phenyl and methyl groups at positions 1 and 5 respectively. It is a tertiary amino compound and a benzoxazocine.

이름 및 식별자

우선 이름: Nefopam
IUPAC: 5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocine
영어명: 3-Methyl-7-phenyl-6-oxa-3-azabicyclo[6.4.0]dodeca-8,10,12-triene
분자식: C17H19NO
분자량: 253.34

이름 및 동의어

nefopam13669-70-0FenazoxineNefopamum1H-2,5-Benzoxazocine, 3,4,5,6-tetrahydro-5-methyl-1-phenyl-4UP8060B7JDTXSID20485353,4,5,6-Tetrahydro-5-methyl-1-phenyl-1H-2,5-benzoxazocinNefopam, SilentanRefChem:832138DTXCID8028002CHEBI:88316

이름 더 보기

HCL NefopamNefopanNefopami(?)-NefopamNEFOPAMI HCLInduced insectNefopam HCL CP2000Nefopanhydrochloride

N02BG061H-2,5-Benzoxazocine, 3,4,5,6-tetrahydro-5-methyl-1-phenyl-(8CI,9CI)237-148-25-Methyl-1-phenyl-3,4,5,6-tetrahydro-1H-benzo[f][1,4]oxazocine5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocine5-Methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocineCHEBI:883183-Methyl-7-phenyl-6-oxa-3-azabicyclo[6.4.0]dodeca-8,10,12-triene

데이터베이스 식별자

CAS: 13669-70-0、23327-57-3
PubChem CID: 4450
DTXSID: DTXSID2048535
ChEMBL: CHEMBL465026
ChEBI: CHEBI:88318
UNII: 4UP8060B7J
EC Number: 237-148-2
Nikkaji: J8.442E

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 12.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 19
형식 전하: 0
복잡도: 274

실험 및 물리화학적 성질

LogP3.02

Human Drugs · 2건

Breast Feeding; Lactation; Milk, Human; Analgesics, Non-Narcotic

Pharmaceuticals

Collision Cross Section · 3건

157.1 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

157.6 Å² [M+H]+ [CCS Type: DT; Method: single field calibrated]

160.85 Å² [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

물리화학적 성질

끓는 점: 396.54 °C · 396.54°C (rough estimate)
밀도: 1.0078 · 1.0078 (rough estimate)
굴절률: 1.54 · 1.5400 (estimate)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 9.16 · 9.16±0.70(Predicted)

안전 및 규제

유해성 정보

Other Safety InformationIMAP assessments - 1H-2,5-Benzoxazocine, 3,4,5,6-tetrahydro-5-methyl-1-phenyl-: Human health tier I assessment

독성 정보

Drug Induced Liver Injury · 4건

Drug-Induced Liver Injury Severity and Toxicity (DILIst)

Nefopam

DILI Positive

DOI:10.1016/j.drudis.2019.09.022

Effects During Pregnancy and Lactation◉ Summary of Use during Lactation

화학 및 산업

약리 정보

ATC Code · 3건

N02BG06

N - Nervous system

QN - Nervous system

MeSH Pharmacological ClassificationA subclass of analgesic agents that typically do not bind to OPIOID RECEPTORS and are not addictive. Many non-narcotic analgesics are offered as NONPRESCRIPTION DRUGS.

용도 및 제조

Use ClassificationPharmaceuticals

상·하류 제품 정보

상류 원료

공급사45 곳

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