기본 정보
- CAS
183305-24-0- 표준 SMILES
CN1CCN=C1c1cccc(Oc2nc(Oc3cc(C(=N)N)ccc3O)c(F)c(N(C)CC(=O)O)c2F)c1- InChIKey
NPNSVNGQJGRSNR-UHFFFAOYSA-N- 분자식
- C25H24F2N6O5
- 평균 분자량
- 526.5 g/mol
- 단동위원소 질량
- 526.17762421
개요
Fidexaban is a small molecule drug. The usage of the INN stem '-xaban' in the name indicates that Fidexaban is a blood coagulation factor XA inhibitor, antithrombotic. Fidexaban has a monoisotopic molecular weight of 526.18 Da.
이름 및 식별자
- 우선 이름
- Fidexaban
- IUPAC
- 2-[[2-(5-carbamimidoyl-2-hydroxyphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyridinyl]-methylamino]acetic acid
- 영어명
- N-[2-[5-(Aminoiminomethyl)-2-hydroxyphenoxy]-6-[3-(4,5-dihydro-1-methyl-1H-imidazol-2-yl)phenoxy]-3,5-difluoro-4-pyridinyl]-N-methylglycine
- 분자식
- C25H24F2N6O5
- 분자량
- 526.49
이름 및 동의어
Fidexaban183305-24-0CI-1031ZK-80783410NHF3008VZK807834N-(2-(5-(amino(imino)methyl)-2-hydroxyphenoxy)-3,5-difluoro-6-(3-(4,5-dihydro-1-methyl-1H-imidazol-2-yl)phenoxy)pyridin-4-yl)-N-methylglycinen-[2-[5-[amino(imino)methyl]-2-hydroxyphenoxy]-3,5-difluoro-6-[3-(4,5-dihydro-1-methyl-1h-imidazol-2-yl)phenoxy]pyridin-4-yl]-n-methylglycinefidexabanumRefChem:921606XK-807834Fidexaban [USAN:INN]
이름 더 보기
CI 1031BX807834PD-200022BX-807834N-[2-[5-(Aminoiminomethyl)-2-hydroxyphenoxy]-6-[3-(4,5-dihydro-1-methyl-1H-imidazol-2-yl)phenoxy]-3,5-difluoro-4-pyridinyl]-N-methylglycineGlycine, N-[2-[5-(aMinoiMinoMethyl)-2-hydroxyphenoxy]-6-[3-(4,5-dihydro-1-Methyl-1H-iMidazol-2-yl)phenoxy]-3,5-difluoro-4-pyridinyl]-N-Methyl-
ZK 807834UNII-10NHF3008VCHEMBL73193Glycine, N-(2-(5-(aminoiminomethyl)-2-hydroxyphenoxy)-6-(3-(4,5-dihydro-1-methyl-1H-imidazol-2-yl)phenoxy)-3,5-difluoro-4-pyridinyl)-N-methyl-ZK-807191((2-(5-Carbamimidoyl-2-hydroxyphenoxy)-3,5-difluoro-6-(3-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)phenoxy)pyridin-4-yl)methylamino)acetic acid2-[[2-(5-carbamimidoyl-2-hydroxyphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]pyridin-4-yl]-methylamino]acetic acidFidexaban [USAN]
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 158 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 883
물리화학적 성질
- 끓는 점
- 649.8 · 649.8±65.0 °C(Predicted)
- 밀도
- 1.48 · 1.48
- 산도 계수 (pKa)
- 3.25 · 3.25±0.10(Predicted)
화학 및 산업
공급사7 곳
凯试(上海)科技有限公司021-50135380 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
重庆卡兰医药有限公司[email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
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