기본 정보
- 표준 SMILES
CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12.Cl- InChIKey
BWMISRWJRUSYEX-SZKNIZGXSA-N- 분자식
- C21H26ClN
- 평균 분자량
- 327.9 g/mol
- 단동위원소 질량
- 327.1753775
이름 및 식별자
- 우선 이름
- Terbinafine Hydrochloride
- IUPAC
- (E)-N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine;hydrochloride
- 영어명
- Terbinafine Hydrochloride
- 분자식
- C21H26ClN
- 분자량
- 327.89
이름 및 동의어
Terbinafine hydrochloride78628-80-5Terbinafine HClLamisil ATBramazilBramizilMuzonalTerbinaTerbineNSC-759113Terbinafine (as hydrochloride)012C11ZU6G
이름 더 보기
LAMISILlamosilDacronin hydrochlorideTerbisilmethylamin hclAfoganD02219Brican
(E)-N-(6,6-Dimethyl-2-hepten-4-ynyl)-N-methyl-1-naphthalenemethylamine hydrochlorideCHEBI:77614DTXSID90229223(2E)-N,6,6-TRIMETHYL-N-(NAPHTHALEN-1-YLMETHYL)HEPT-2-EN-4-YN-1-AMINE HYDROCHLORIDEShopriteCuristSilkaLamisil once
데이터베이스 식별자
- CAS
78628-80-5- PubChem CID
- 5282481
- DTXSID
DTXSID90229223- ChEMBL
CHEMBL1200832- ChEBI
CHEBI:77614- UNII
- 012C11ZU6G
- EC Number
- 616-640-4、691-642-6
물성
구조 계산 물성
- 극성 표면적
- 3.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 428
실험 및 물리화학적 성질
Collision Cross Section185.6 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
물리화학적 성질
- 녹는점
- 204 · 204-208°C
- 저장 조건
- 15 · 15-25°C
- 용해도
- 50 mg/mL · 메탄올: 용해성50mg/mL
- 물리적 상태
- 가루
- 색상
- 하얀색
- Merck
- 14 · 14,9156
- BCS Class
- 1 · 1
- 주요 응용
- 제약소분자 약용
- InChI
- InChI=1S/C21H25N.ClH/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19;/h5-7,9-14H,16-17H2,1-4H3;1H/b9-5+;
- InChIKey
- BWMISRWJRUSYEX-SZKNIZGXSA-N
- SMILES
- C12C=CC=CC1=CC=CC=2CN(C)C/C=C/C#CC(C)(C)C.Cl
화학적 성질
Terbinafine hydrochloride is an off-white crystalline material that is soluble in polar organic solventssuch as methanol, ethanol, and methylene chloride but isonly slightly soluble in water. The highly lipophilic freebase is insoluble in water.
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 0.6% (1 of 179) of reports.
Warning
H315 (46.4%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (46.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (46.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H400 (87.2%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (95.5%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 179 reports by companies from 22 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 179 reports by companies.；There are 21 notifications provided by 178 of 179 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Regulatory Information
Status: Active Update: 13-08-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/12149
Terbinafine hydrochloride: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (46.4%)；Eye Irrit. 2 (46.4%)；STOT SE 3 (46.4%)；Aquatic Acute 1 (87.2%)；Aquatic Chronic 1 (95.5%)
독성 정보
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Terbinafine hydrochloride
vMost-DILI-concern
8
Warnings & precautions
DOI:10.1016/j.drudis.2016.02.015
규제 정보
Regulatory Information
Status: Active Update: 13-08-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/12149
Terbinafine hydrochloride: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- wgk
- 3
- rtecs
- QJ8600100
- ridadr
- UN 3077 9/PG 3
- 독성
- LD50 in mice, rats (mg/kg): 4000, 4000 orally; 393, 213 i.v. (Ganzinger)
- HS 번호
- 29214990
- risk_code
- 36/37/38-50/53
- hazard_code
- Xi,N
- safety_code
- 26-36/37/39-61-60
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
FDA Pharmacological Classification
TERBINAFINE HYDROCHLORIDE
Allylamine [CS]; Allylamine Antifungal [EPC]
TERBINAFINE TABLETS 250 MG
Allylamine Antifungal [EPC]; Allylamine [CS]
MeSH Pharmacological Classification
Substances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues.
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
응용 분야
개요Terbinafine hydrochloride is the first orally active allylamine antifungal with 30-fold greater antifungal activity than naftifine. The compound is indicated for the treatment of ringworm and fungal nail infections. Terbinatine hydrochloride acts on a single fungal enzyme, squalene epoxidase, interfering with the biosynthesis of ergosterols in cell membranes. Unlike other antifungal agents, it does not inhibit cytochrome P450 enzymes.
일반 설명Terbinafine Hydrochloride is a synthetic allylamine derivative structurally related to naftifine, antifungal Terbinafine Hydrochloride blocks ergosterol biosynthesis by inhibition of squalene epoxidase, part of the sterol synthesis pathway for the fungal cell membrane.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
国药集团化学试剂有限公司86-21-63210123 · [email protected]
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LGM Pharma1-(800)-881-8210 · [email protected]
Syntechem Co.,Ltd[email protected]
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嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
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上海特伯化学科技有限公司+86-21-60341587 · [email protected]
AdooQ BioScience, LLC+1 (866) 930-6790 · [email protected]
Wuhan NCE Biomedical Co.,Ltd.4000-027-021 |24 +86-13986109188 | +86-15623472865 | +81-08033611988
上海遐瑞医药科技有限公司+86 21 61551611
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추가 설명
정의ChEBI: A hydrochloride obtained by reaction of terbinafine with one molar equivalent of hydrogen chloride.
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