기본 정보
- CAS
859212-17-2- 표준 SMILES
Cc1ccc(NC(=O)c2ccc(CN3CC[C@H](N(C)C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1.Cl- InChIKey
BDOTVQIWRKJMIG-JIDHJSLPSA-N- 분자식
- C30H32ClF3N8O
- 평균 분자량
- 613.1 g/mol
- 단동위원소 질량
- 612.2339699
이름 및 식별자
- 우선 이름
- 4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;hydrochloride
- IUPAC
- 4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;hydrochloride
- 영어명
- N-[3-([4,5'-bipyriMidin]-2-ylaMino)-4-Methylphenyl]-4-[[(3S)-3-(diMethylaMino)-1-pyrrolidinyl]Methyl]-3-(trifluoroMethyl)-benzaMide, (HCl salt)
- 분자식
- C30H32ClF3N8O
- 분자량
- 613.09
이름 및 동의어
SCHEMBL3569935BDOTVQIWRKJMIG-JIDHJSLPSA-N4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;hydrochlorideBafetinib HydrochlorideBafetinib dihydrochlorideN-[3-([4,5'-bipyriMidin]-2-ylaMino)-4-Methylphenyl]-4-[[(3S)-3-(diMethylaMino)-1-pyrrolidinyl]Methyl]-3-(trifluoroMethyl)-benzaMide, (HCl salt)N-[3-([4,5'-bipyrimidin]-2-ylamino)-4-methylphenyl]-4-[[(3S)-3-(dimethylamino)-1-pyrrolidinyl]methyl]-3-(trifluoromethyl)Benzamide hydrochloride4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide:hydrochloride
데이터베이스 식별자
- CAS
859212-17-2- PubChem CID
- 68696060
물성
구조 계산 물성
- 극성 표면적
- 99.2 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 872
화학 및 산업
공급사3 곳
Wuhan NCE Biomedical Co.,Ltd.4000-027-021 |24 +86-13986109188 | +86-15623472865 | +81-08033611988
斯派螺（武汉）药物研发有限公司[email protected]
济南睿思医药技术有限公司0531-0531-69900633 19963472814 · [email protected]
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