Voruciclib hydrochloride
기본 정보
- CAS
1000023-05-1- 표준 SMILES
CN1CC[C@@H](c2c(O)cc(O)c3c(=O)cc(-c4ccc(C(F)(F)F)cc4Cl)oc23)[C@@H]1CO.Cl- InChIKey
QCWRANLELLMJSH-OJMBIDBESA-N- 분자식
- C22H20Cl2F3NO5
- 평균 분자량
- 506.3 g/mol
- 단동위원소 질량
- 505.0670626
이름 및 식별자
- 우선 이름
- Voruciclib hydrochloride
- IUPAC
- 2-[2-chloro-4-(trifluoromethyl)phenyl]-5,7-dihydroxy-8-[(2R,3S)-2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]chromen-4-one;hydrochloride
- 영어명
- 4H-1-Benzopyran-4-one, 2-[2-chloro-4-(trifluoromethyl)phenyl]-5,7-dihydroxy-8-[(2R,3S)-2-(hydroxymethyl)-1-methyl-3-pyrrolidinyl]-, hydrochloride (1:1)
- 분자식
- C22H20Cl2F3NO5
- 분자량
- 506.3
이름 및 동의어
Voruciclib hydrochloride1000023-05-1Voruciclib (hydrochloride)UNII-8BEP29W01U8BEP29W01U2-[2-chloro-4-(trifluoromethyl)phenyl]-5,7-dihydroxy-8-[(2R,3S)-2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]chromen-4-one;hydrochloride4H-1-Benzopyran-4-one, 2-(2-chloro-4-(trifluoromethyl)phenyl)-5,7-dihydroxy-8-((2R,3S)-2-(hydroxymethyl)-1-methyl-3-pyrrolidinyl)-, hydrochloride (1:1)Voruciclib HClorb1708250SCHEMBL2441390SCHEMBL29396331QCWRANLELLMJSH-OJMBIDBESA-N
이름 더 보기
2-(2-Chloro-4-(trifluoromethyl)phenyl)-5,7-dihydroxy-8-((2R,3S)-2-(hydroxymethyl)-1-methylpyrrolidin-3-yl)-4H-chromen-4-one hydrochloride4H-1-Benzopyran-4-one, 2-[2-chloro-4-(trifluoromethyl)phenyl]-5,7-dihydroxy-8-[(2R,3S)-2-(hydroxymethyl)-1-methyl-3-pyrrolidinyl]-, hydrochloride (1:1)
HY-12422AAKOS040740538rel-(2S,3R)-Voruciclib hydrochlorideVORUCICLIB HYDROCHLORIDE, (+)-DA-59048MS-29403CS-0016536G15953
데이터베이스 식별자
- CAS
1000023-05-1- PubChem CID
- 67409218
- UNII
- 8BEP29W01U
물성
구조 계산 물성
- 극성 표면적
- 90.2 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 750
물리화학적 성질
- 저장 조건
- 4 °C, · 4°C, away from moisture
- 용해도
- 250 mg/mL · DMSO : ≥ 250 mg/mL (493.78 mM)
- 물리적 상태
- Solid
- 색상
- Light yellow to yellow
관련 반응
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