기본 정보
- CAS
791-35-5- 표준 SMILES
CN(C)CCC(O)(c1ccccc1)c1ccccc1Cl- InChIKey
WRCHFMBCVFFYEQ-UHFFFAOYSA-N- 분자식
- C17H20ClNO
- 평균 분자량
- 289.8 g/mol
- 단동위원소 질량
- 289.123342
개요
Clofedanol is a diarylmethane that is 2-chlorophenyl(phenyl)methane substituted on the methane carbon by a 2-(dimethylamino)ethyl group. Used in the treatment of dry cough, it suppresses the cough reflex by a direct effect on the cough centre in the medulla of the brain. It has a role as an antitussive. It is a tertiary amino compound and a diarylmethane. It is a conjugate base of a clofedanol(1+).
이름 및 식별자
- 우선 이름
- Chlophedianol
- IUPAC
- 1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol
- 영어명
- clofedanol
- 분자식
- C17H20ClNO
- 분자량
- 289.7998
이름 및 동의어
CHLOPHEDIANOLClofedanol791-35-5ChlofedanolTussistopClophedianol baseAntitussinClofedanolumClofedianolo1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol1-Phenyl-1-(o-chlorophenyl)-3-dimethylaminopropanolalpha-(Dimethylaminoethyl)-o-chlorobenzhydrol
이름 더 보기
DencylclofedanoCalmotusinNSC 113595ClophedianolCHLOPHENDIANOL
2-Chloro-alpha-(2-(dimethylamino)ethyl)benzhydrolDTXSID4022789NSC-113595CHEBI:13520742C50P12APDTXCID602789clofedanoloRefChem:577726
데이터베이스 식별자
- CAS
791-35-5- PubChem CID
- 2795
- DTXSID
DTXSID4022789- ChEMBL
CHEMBL1201313- ChEBI
CHEBI:135207- UNII
- 42C50P12AP
- EC Number
- 212-340-9
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 23.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 291
실험 및 물리화학적 성질
Solubility6.21e-02 g/L
Physical DescriptionSolid
물리화학적 성질
- 녹는점
- 120 ° · 120°
- 끓는 점
- 429.8 · 429.8±45.0 °C(Predicted)
- 밀도
- 1.148 · 1.148±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 13.03 · 13.03±0.29(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Regulatory InformationREACH registered substance: Clofedano (EC: 212-340-9)
Other Safety InformationIMAP assessments - Benzenemethanol, 2-chloro-.alpha.-[2-(dimethylamino)ethyl]-.alpha.-phenyl-: Human health tier I assessment
Hazard Classes and CategoriesAcute Tox. 3 (100%)
독성 정보
Health EffectsMay have anticholinergic effects at high doses.
Exposure RoutesOral
Toxicity SummarySuppresses the cough reflex by a direct effect on the cough center in the medulla of the brain.
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
안전 데이터
- 독성
- LD50 i.v. in mice: 70 mg/kg (Lorenz)
화학 및 산업
약리 정보
ATC Code
R - Respiratory system
QR - Respiratory system
PharmacodynamicsChlophedianol (or Clofedanol) is a centrally-acting cough suppressant. It has local anesthetic and antihistamine properties, and may have anticholinergic effects at high doses.
Mechanism of ActionSuppresses the cough reflex by a direct effect on the cough center in the medulla of the brain.
Metabolism/Metabolites
Hepatic.
Hepatic.
Cellular LocationsMembrane
용도 및 제조
UsesUsed in the treatment of dry cough.
응용 분야
용도(±)-Chlophedianol is an inhalation eutectic compound, used for treatment of respiratory diseases.Also, used in preparation of Deuterated morphine derivatives useful in treatment of pain or as as antitussive agents with reduced risk of possibility of drug abuse.
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