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기본 정보
- CAS
499777-85-4- 표준 SMILES
COc1ccc(-c2c(Cl)ncn2-c2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1F- InChIKey
FRZYUVYOHGEOAJ-UHFFFAOYSA-N- 분자식
- C20H21ClFN3O3S
- 평균 분자량
- 437.9 g/mol
- 단동위원소 질량
- 437.0976186
이름 및 식별자
- 우선 이름
- 4-(4-Chloro-5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-1-yl)-N-(1,1-dimethylethyl)benzenesulfonamide
- IUPAC
- N-tert-butyl-4-[4-chloro-5-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide
- 영어명
- N-tert-butyl-4-[4-chloro-5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-1-yl]benzenesulfonamide
- 분자식
- C20H21ClFN3O3S
- 분자량
- 437.92
이름 및 동의어
499777-85-44-[4-Chloro-5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-1-yl]-N-(1,1-dimethylethyl)benzenesulfonamide4-(4-Chloro-5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-1-yl)-N-(1,1-dimethylethyl)benzenesulfonamideRefChem:287909N-tert-Butyl CimicoxibSCHEMBL4409783FRZYUVYOHGEOAJ-UHFFFAOYSA-NDTXSID901114720N-tert-Butyl-4-[4-chloro-5-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonamideN-tert-Butyl-4-[4-chloro-5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-1-yl]benzene-1-sulfonamideN-tert-butyl-4-[4-chloro-5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-1-yl]benzenesulfonamideBenzenesulfonamide, 4-[4-chloro-5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-1-yl]-N-(1,1-dimethylethyl)-
데이터베이스 식별자
- CAS
499777-85-4- PubChem CID
- 10274815
- DTXSID
DTXSID901114720- EC Number
- 946-493-4
물성
구조 계산 물성보충 중
- XLogP
- 4.3
- 극성 표면적
- 81.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 646
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]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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. Each notification may be associated with multiple companies.；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 InformationStatus: Active Update: 11-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24033
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
규제 정보
Regulatory InformationStatus: Active Update: 11-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24033
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
화학 및 산업
응용 분야
용도N-tert-Butyl Cimicoxib is an intermediate in the synthesis of Cimicoxib (C441690). Cimicoxib is a long-acting COX-2 Inhibitor and is developed as a non-steroidal anti-inflammatory veterinary drug used to treat dogs with inflammation and pain associated with osteoarthritis.
공급사2 곳
苏州美石生物科技有限公司1173954148q · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
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