기본 정보
- CAS
59468-44-9- 표준 SMILES
Cc1nc(C(=O)O)c2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2- InChIKey
WZNYKINYEPCGAZ-UHFFFAOYSA-N- 분자식
- C19H13ClFN3O2
- 평균 분자량
- 369.8 g/mol
- 단동위원소 질량
- 369.0680325
이름 및 식별자
- 우선 이름
- 8-chloro-6-(o-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid
- IUPAC
- 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid
- 영어명
- 8-chloro-6-(o-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid
- 분자식
- C19H13ClFN3O2
- 분자량
- 369.78
이름 및 동의어
59468-44-98-chloro-6-(2-fluorophenyl)-1-methyl-4h-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid8-chloro-6-(o-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid8-Chloro-6-(o-fluorophenyl)-1-methyl-4H-imidazo(1,5-a)(1,4)benzodiazepine-3-carboxylic acidP5URY5OSB9EINECS 261-777-1DTXSID90208174MIDAZOLAM IMPURITY C [EP IMPURITY]4H-IMIDAZO(1,5-A)(1,4)BENZODIAZEPINE-3-CARBOXYLIC ACID, 8-CHLORO-6-(2-FLUOROPHENYL)-1-METHYL-MIDAZOLAM IMPURITY C (EP IMPURITY)8-Chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo(1,5-a)(1,4)benzodiazepine-3-carboxylic acidRefChem:547957
이름 더 보기
Midazolam Impurity 3(Midazolam EP Impurity C)8-CHLOOR-6-(2-FLUORFENYL)-1-METHYL-4H-IMIDAZO[1,5-A][1,4]BENZODIAZEPINE-3-CARBONZUUR8-Chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-carboxylic acid8-Chloro-6-(2-fluorophenyl)-1-methy-4H-imidazol [1,5-a][1,4]benzodiazepine-3-Carboxylic acid8-chloro-6-(2-fluorophenyl)-1-methyl-4H-benzo[f]imidazo[1,5-a][1,4]diazepine-3-carboxylicacid
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 67.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 589
물리화학적 성질
- 끓는 점
- 590.7 · 590.7±60.0 °C(Predicted)
- 밀도
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 6.11 · 6.11±0.40(Predicted)
- 주요 응용
- 의약품(소분자)
- InChI
- InChI=1S/C19H13ClFN3O2/c1-10-23-18(19(25)26)16-9-22-17(12-4-2-3-5-14(12)21)13-8-11(20)6-7-15(13)24(10)16/h2-8H,9H2,1H3,(H,25,26)
- InChIKey
- WZNYKINYEPCGAZ-UHFFFAOYSA-N
- SMILES
- N12C(C)=NC(C(O)=O)=C1CN=C(C1=CC=CC=C1F)C1=CC(Cl)=CC=C12
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (4 of 4) of all reports.
Not Classified
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory InformationREACH registered substance: 8-chloro-6-(o-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid (EC: 261-777-1)
Hazard Classes and CategoriesNot Classified
안전 데이터
- wgk
- WGK 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도8-Chloro-6-(2-fluorophenyl)-1-methyl-4H-Imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic Acid is an imidazodiaepine derivative and an impurity of Midazolam (M343000), an anesthetic, anticonvulsant, seda tive and hypotic agent.
상·하류 제품 정보
하류 제품
공급사30 곳
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