기본 정보
- CAS
85118-42-9- 표준 SMILES
CN1c2cc(F)ccc2C(c2ccccc2)=NCC1CNC(=O)c1ccoc1- InChIKey
QJSCDZOUCFWCKD-UHFFFAOYSA-N- 분자식
- C22H20FN3O2
- 평균 분자량
- 377.4 g/mol
- 단동위원소 질량
- 377.15395505
이름 및 식별자
- 우선 이름
- Lufuradom
- IUPAC
- N-[(8-fluoro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]furan-3-carboxamide
- 영어명
- N-[(8-fluoro-2,3-dihydro-1-methyl-5-phenyl-1H-benzo-1,4-diazepin-2-yl)methyl]-3-furamide
- 분자식
- C22H20FN3O2
- 분자량
- 377.41
이름 및 동의어
Lufuradom85118-42-994006-14-1Lufuradom [INN]EINECS 301-351-5GS8D070P7WN-[(8-fluoro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]furan-3-carboxamide(+-)-N-((8-Fluoro-2,3-dihydro-1-methyl-5-phenyl-1H-1,4-benzodiazepin-2-yl)methyl)-3-furamideN-((8-Fluoro-2,3-dihydro-1-methyl-5-phenyl-1H-benzo-1,4-diazepin-2-yl)methyl)-3-furamideN-[(8-Fluoro-2,3-dihydro-1-methyl-5-phenyl-1H-1,4-benzodiazepin-2-yl)methyl]-3-furancarboxamideUNII-GS8D070P7Worb1696313
이름 더 보기
N-[(8-fluoro-2,3-dihydro-1-methyl-5-phenyl-1H-benzo-1,4-diazepin-2-yl)methyl]-3-furamide3-Furancarboxamide, N-[(8-fluoro-2,3-dihydro-1-methyl-5-phenyl-1H-1,4-benzodiazepin-2-yl)methyl]-
SCHEMBL2108973CHEMBL2107178DTXSID50868859QJSCDZOUCFWCKD-UHFFFAOYSA-NZINC00607947AKOS040752729FF102093N-[(8-fluoro-1-methyl-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)methyl]furan-3-carboxamide
데이터베이스 식별자
- CAS
85118-42-9、94006-14-1- PubChem CID
- 3045400
- DTXSID
DTXSID50868859- ChEMBL
CHEMBL2107178- UNII
- GS8D070P7W
- EC Number
- 301-351-5
- Nikkaji
- J35.095H
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 57.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 578
물리화학적 성질
- 끓는 점
- 572.3 · 572.3±50.0 °C(Predicted)
- 밀도
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 13.91 · 13.91±0.46(Predicted)
화학 및 산업
공급사1 곳
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
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