기본 정보
- CAS
1420767-25-4- 표준 SMILES
CO[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C(C)=C([C@@H](O)C(=O)[C@]12C)C3(C)C- InChIKey
CIHAXHLPSYZREI-BGKJQISDSA-N- 분자식
- C44H55NO14
- 평균 분자량
- 821.9 g/mol
- 단동위원소 질량
- 821.36225543
개요
RPR123142 is a taxane diterpenoid.
이름 및 식별자
- 우선 이름
- 7-Methyl docetaxel
- IUPAC
- [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,12-dihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-9-methoxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
- 영어명
- 7-Methyl Docetaxel
- 분자식
- C44H55NO14
- 분자량
- 821.91
이름 및 동의어
7-Methyl docetaxel1420767-25-410-Demethyl cabazitaxelRPR123142RPR-123142UNII-FX7R2617C2FX7R2617C2[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,12-dihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-9-methoxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoateCabazitaxel Impurity 4Cabazitaxel Impurity 23SCHEMBL20143822CHEBI:230043
이름 더 보기
CIHAXHLPSYZREI-BGKJQISDSA-NBenzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-6,11-dihydroxy-4-methoxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester,...
(alphaR,betaS)-beta-[[(1,1-Dimethylethoxy)carbonyl]amino]-alpha-hydroxy-benzenepropanoic Acid (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-6,11-dihydroxy-4-methoxy-4a,8,13,13-tetramethyl-5-oxo-7,11-meCABAZITAXEL METABOLITE (RPR123142)Q27278248(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-9-(((2R,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-3-phenylpropanoyl)oxy)-6,11-dihydroxy-4-methoxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl benzoate
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 213 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 59
- 형식 전하
- 0
- 복잡도
- 1,670
물리화학적 성질
- 끓는 점
- 884.945 · 884.945±65.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.346 · 1.346±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 11.196 · 11.196±0.46(predicted)
화학 및 산업
응용 분야
용도7-Methyl Docetaxel is a metabolite of Docetaxel (D494420), a microtubule inhibitor that has the potential to be used in treating hormone refractory prostate cancer.
공급사
불러오는 중…
공개 문의
불러오는 중…
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…