기본 정보
- CAS
1354900-66-5- 표준 SMILES
COc1ccc(C2O[C@@H](C(=O)O[C@H]3C[C@@]4(O)[C@@H](OC(=O)c5ccccc5)[C@@H]5[C@]6(OC(C)=O)CO[C@@H]6C[C@H](OC)[C@@]5(C)C(=O)[C@H](OC)C(=C3C)C4(C)C)[C@H](c3ccccc3)N2C(=O)OC(C)(C)C)cc1- InChIKey
JWINQNOFPOPSDF-BUPOHIIBSA-N- 분자식
- C53H63NO15
- 평균 분자량
- 954.1 g/mol
- 단동위원소 질량
- 953.4197703
이름 및 식별자
- 우선 이름
- 5-O-[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1-hydroxy-9,12-dimethoxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] 3-O-tert-butyl (4S,5R)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate
- IUPAC
- 5-O-[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1-hydroxy-9,12-dimethoxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] 3-O-tert-butyl (4S,5R)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate
- 영어명
- Cabazitaxel N-1
- 분자식
- C53H63NO15
- 분자량
- 954.07
이름 및 동의어
1354900-66-5Cabazitaxel N-1; 3,5-Oxazolidinedicarboxylic acid, 2-(4-methoxyphenyl)-4-phenyl-, 5-[(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-11-hydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cycCabazitaxel N-1(N-1)Cabazitaxel intermediate4α-acetoxy-2α-benzoyloxy-5β,20-epoxy-1β,13α-dihydroxy-7β,10β-dimethoxy-9-oxo-11-taxen-13α-y4α-acetoxy-2α-benzoyloxy-5β,20-epoxy-1β,13α-dihydroxy-7β,10β-dimethoxy-9-oxo-11-taxen-13α-yl (2R,4S,5S)-3-tert-butoxycarbonyl-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylate3,5-Oxazolidinedicarboxylic acid, 2-(4-methoxyphenyl)-4-phenyl-, 5-[(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-11-hydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl] 3-(1,1-dimet...(4S,5R)-2-(4-Methoxyphenyl)-4-phenyl-3,5-oxazolidinedicarboxylic acid 5-[(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-11-hydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl] 3-(1,1-dimethylethyl) ester
물성
구조 계산 물성
- XLogP
- 6
- 극성 표면적
- 192 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 69
- 형식 전하
- 0
- 복잡도
- 1,980
화학 및 산업
응용 분야
용도Cabazitaxel N-1 is an impurity of Cabazitaxel (C046500), a novel semi-synthetic taxane with antitumor activity used for the treatment of castration-resistant prostate cancer.
공급사18 곳
陕西格列弗生物科技研究有限责任公司18409274651; 13892423764 · [email protected]
安礼特（上海）医药科技有限公司18109805911 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
陕西晶和医药科技有限公司029-86062279 13324594253 · [email protected]
桦特昇生物科技（武汉）有限公司027-59207879 1972026995 18140587686 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
Arizest(Shanghai)Pharmatech Co., Ltd+86-021-60753300 +86-13671599112 · [email protected]
上海德轩医药科技有限公司[email protected] · [email protected]
武汉赢元贝商贸有限公司86-13349903920 13349903920 · [email protected]
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