기본 정보
- CAS
60656-76-0- 표준 SMILES
O=[N+]([O-])C=C1CN(O)C(c2ccccc2F)=c2cc(Cl)ccc2=N1- InChIKey
RSTSYABPFKHEDS-UHFFFAOYSA-N- 분자식
- C16H11ClFN3O3
- 평균 분자량
- 347.73 g/mol
- 단동위원소 질량
- 347.0472971
이름 및 식별자
- 우선 이름
- QK4Khh9ymp
- IUPAC
- 7-chloro-5-(2-fluorophenyl)-4-hydroxy-2-(nitromethylidene)-3H-1,4-benzodiazepine
- 영어명
- 7-Chloro-1,3dihydro-5-fluorophenyl-2-nitro-methylene-2H-1,4-benzodiazepine-4-oxide
- 분자식
- C16H11ClFN3O3
- 분자량
- 347.73
이름 및 동의어
QK4KHH9YMPSCHEMBL7310022YFNLLWWUWXVJOM-UHFFFAOYSA-NMIDAZOLAM NITROMETHYLENE COMPOUND7-Chloro-5-(2-fluorophenyl)-1,3-dihydro-2-nitromethylene-2H-1,4-benzodiazepine-4-oxide1H-1,4-BENZODIAZEPINE, 7-CHLORO-5-(2-FLUOROPHENYL)-2,3-DIHYDRO-2-(NITROMETHYLENE)-, 4-OXIDEMidazolam ImpurityMidazolam Impurity 11Midazolam Impurity 267-Chloro-1,3dihydro-5-fluorophenyl-2-nitro-methylene-2H-1,4-benzodiazepine-4-oxide7-Chloro-1,3-dihydro-5-(2-fluorophenyl)-2-nitromethylene-2H-1,4-benzodiazepine 4-Oxide7-Chloro-1,3-dihydro-2-nitromethylene-5-(2-fluorophenyl)-2H -1,4-benzodiazepine-4-oxide
이름 더 보기
7-Chloro-5-(2-fluorophenyl)-2,3-dihydro-2-(nitromethylene)-1H-1,4-benzodiazepine 4-Oxide7-chloro-5-(2-fluorophenyl)-2-(nitromethylene)-2,3-dihydro-1H-benzo[e][1,4]diazepine 4-oxide
데이터베이스 식별자
- CAS
60656-76-0- PubChem CID
- 73708071
- UNII
- QK4KHH9YMP
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 81.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 706
물리화학적 성질
- 녹는점
- 240 · 240-243 °C(Solv: N,N-dimethylformamide (68-12-2); water (7732-18-5))
- 끓는 점
- 539.7 · 539.7±60.0 °C(Predicted)
- 밀도
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -1.18 · -1.18±0.20(Predicted)
- InChI
- InChI=1S/C16H11ClFN3O3/c17-10-5-6-15-13(7-10)16(12-3-1-2-4-14(12)18)20(22)8-11(19-15)9-21(23)24/h1-7,9,19H,8H2
- InChIKey
- YFNLLWWUWXVJOM-UHFFFAOYSA-N
- SMILES
- N1C2=CC=C(Cl)C=C2C(C2=CC=CC=C2F)=[N+]([O-])CC1=C[N+]([O-])=O
화학 및 산업
응용 분야
용도7-Chloro-5-(2-fluorophenyl)-2,3-dihydro-2-(nitromethylene)-1H-1,4-benzodiazepine 4-Oxide is the synthetic precursor of Midazolam (M343000), an anesthetic, anticonvulsant, sedative and hypotic agent.
공급사32 곳
济南百隆化学有限公司[email protected] · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
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