기본 정보
- CAS
31329-57-4- 표준 SMILES
CCN(CC)CCOC(=O)C(Cc1cccc2ccccc12)CC1CCCO1- InChIKey
KBAFPSLPKGSANY-UHFFFAOYSA-N- 분자식
- C24H33NO3
- 평균 분자량
- 383.5 g/mol
- 단동위원소 질량
- 383.24604391
개요
2-(1-naphthalenylmethyl)-3-(2-oxolanyl)propanoic acid 2-(diethylamino)ethyl ester is a member of naphthalenes.
이름 및 식별자
- 우선 이름
- Naftidrofuryl
- IUPAC
- 2-(diethylamino)ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate
- 영어명
- NAFRONYL
- 분자식
- C24H33NO3
- 분자량
- 383.53
이름 및 동의어
nafronylNaftidrofuryl31329-57-4NaphtidrofurylTridusDubimaxGevatranNaftidrofuriloNaftidrofurylumDrosunal42H8PQ0NMJ2-(diethylamino)ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate
이름 더 보기
CitoxidNafmnylDusodrilPraxileneDi-Actane
3-(1-Naphthyl)-2-tetrahydrofurfurylpropionic acid 2-(diethylamino)ethyl esterTetrahydro-alpha-(1-naphthalenylmethyl)-2-furanpropanoic acid 2-(diethylamino)ethyl esterDTXSID30233442-(Diethylamino)ethyl tetrahydro-alpha-(1-naphthylmethyl)-2-furanpropionatenaftidrofurileNaftifurin Oxalate2-FURANPROPANOIC ACID, TETRAHYDRO-A-(1-NAPHTHALENYLMETHYL)-, 2-(DIETHYLAMINO)ETHYL ESTERNaftiratiopharm
데이터베이스 식별자
- CAS
31329-57-4- PubChem CID
- 4417
- DTXSID
DTXSID3023344- ChEMBL
CHEMBL1443491、CHEMBL1620794- ChEBI
CHEBI:91817- UNII
- 42H8PQ0NMJ
- EC Number
- 250-572-2
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 38.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 465
실험 및 물리화학적 성질
Drugs
Pharmaceuticals -> Used in Switzerland
Pharmaceuticals
Human DrugsPharmaceuticals
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 끓는 점
- 0.5 · bp0.5 190°
- 밀도
- 431 · d431 1.0465
- 굴절률
- 29 · nD29 1.5513
- 저장 조건
- Refrigerator
- 용해도
- 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
- 물리적 상태
- 기름
- 산도 계수 (pKa)
- 9.21 · 9.21±0.25(Predicted)
- 색상
- 무색~진한 노란색
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory InformationREACH registered substance: Naftidrofuryl (EC: 250-572-2)
Other Safety InformationIMAP assessments - 2-Furanpropanoic acid, tetrahydro-.alpha.-(1-naphthalenylmethyl)-, 2-(diethylamino)ethyl ester: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
독성 정보
Health Effects
Naftidrofuryl increases the peripheric circulation of blood, e.g. in peripheral vascular disease (PAOD), Raynaud's phenomenon, cerebrovascular diseases, diffuse circulatory insufficiency in the elderly going along with confusion or behavioral disturbances. Overdosage may result in disturbance of the atrioventricular conduction time, ventricular arrhythmia, convulsions, acute renal failure or acute hepatic necrosis (A302).
Exposure RoutesOral (A302).
Toxicity Summary
Naftidrofuryl blocks the type 2 serotonin (5-HT2) receptors and thereby inhibits the effects of serotonin-induced vasoconstriction or platelet aggregation. It is also a stimulator of metabolism by improving aerobic glucose metabolism and by these means preserving cell function in ischemic conditions. Overdosage may result in disturbance of the atrioventricular conduction time, ventricular arrhythmia, convulsions, acute renal failure or acute hepatic necrosis (A302).
화학 및 산업
약리 정보
ATC Code
C04AX21
C - Cardiovascular system
QC - Cardiovascular system
MeSH Pharmacological Classification
Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or SEROTONIN RECEPTOR AGONISTS.
Drugs used to cause dilation of the blood vessels.
용도 및 제조
Uses
Use (kg; approx.) in Germany (2009): >5000
Naftidrofuryl is a drug used in the management of peripheral and cerebral vascular disorders (L999).
Use ClassificationPharmaceuticals
상·하류 제품 정보
상류 원료
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