기본 정보
- CAS
17617-60-6- 표준 SMILES
O=C1Nc2ccc(Cl)cc2C(c2ccccc2F)=NC1O- InChIKey
FERBACJQVQVCKH-UHFFFAOYSA-N- 분자식
- C15H10ClFN2O2
- 평균 분자량
- 304.7 g/mol
- 단동위원소 질량
- 304.0414834
이름 및 식별자
- 우선 이름
- N-Desalkyl-3-hydroxyflurazepam
- IUPAC
- 7-chloro-5-(2-fluorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one
- 영어명
- 7-Chloro-5-(2-fluorophenyl)-1,3-dihydro-3-hydroxy-2H-1,4-benzodiazepin-2-one
- 분자식
- C15H10ClFN2O2
- 분자량
- 304.7
이름 및 동의어
17617-60-6HDOQRefChem:927121OX 164F7-chloro-5-(2-fluorophenyl)-1,3-dihydro-3-hydroxy-2h-1,4-benzodiazepin-2-oneRo 7-52052H-1,4-BENZODIAZEPIN-2-ONE, 1,3-DIHYDRO-7-CHLORO-5-(o-FLUOROPHENYL)-3-HYDROXY-CM 400952H-1,4-Benzodiazepin-2-one, 7-chloro-5-(2-fluorophenyl)-1,3-dihydro-3-hydroxy-7-chloro-5-(2-fluorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one1,3-Dihydro-7-chloro-5-(o-fluorophenyl)-3-hydroxy-2H-1,4-benzodiazepin-2-one7-Chloro-5-(2-fluorophenyl)-3-hydroxy-1,3-dihydro-2H-1,4-benzodiazepin-2-one
이름 더 보기
3-hydroxy-N-desalkyl-2-oxoquazepam7-Chloro-3-Hydroxy-5-(2-Ffluorophenyl)-1,3-Dihydro-2h-1,4-Benzodiazepine-2-One()-7-CHLORO-3-HYDROXY-5-(2-FLUOROPHENYL)-1,3-DIHYDRO-2H-1,4-BENZODIAZEPINE-2-ONE(+/-)-7-Chloro-3-hydroxy-5-(2-ffluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepine-2-one
BRN 07590833-Hydroxy desalkylflurazepamCHEMBL64755orb2814687SCHEMBL7329203DTXSID50874637FC999272H-1,4-Benzodiazepin-2-one, 7-chloro-5-(o-fluorophenyl)-1,3-dihydro-3-hydroxy-
데이터베이스 식별자
- CAS
17617-60-6- PubChem CID
- 28648
- DTXSID
DTXSID50874637- ChEMBL
CHEMBL64755- Nikkaji
- J431.359C
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 61.7 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 445
실험 및 물리화학적 성질
LogP1.81
물리화학적 성질
- 녹는점
- 173 · 173-175 °C(Solv: ethanol (64-17-5))
- 끓는 점
- 507.1 · 507.1±50.0 °C(Predicted)
- 밀도
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- 용해도
- 10 mg/ml · DMSO: Soluble: =10 mg/ml
- 산도 계수 (pKa)
- 10.76 · 10.76±0.70(Predicted)
- NIST
- 2 H-1,4-benzodiazepin-2-one, · 2H-1,4-benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-(o-fluorophenyl)-3-hydroxy-(17617-60-6)
화학 및 산업
공급사5 곳
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
上海有集材料有限公司13052376889 13681663468 · [email protected]
重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
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