Larotaxel

HCID 6918260
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기본 정보

CAS
156294-36-9
표준 SMILES
CC(=O)O[C@H]1C(=O)[C@]23C[C@H]2C[C@H]2OC[C@@]2(OC(C)=O)[C@H]3[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C1C2(C)C
InChIKey
DXOJIXGRFSHVKA-BZVZGCBYSA-N
분자식
C45H53NO14
평균 분자량
831.9 g/mol

개요

Larotaxel has been used in trials studying the treatment of Cancer, Metastases, Breast Cancer, Breast Neoplasms, and Pancreatic Neoplasms, among others.

이름 및 식별자

우선 이름
Larotaxel
IUPAC
[(1S,2S,3R,4S,7R,9S,11R,13R,16S)-4,13-diacetyloxy-1-hydroxy-16-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-15,18,18-trimethyl-12-oxo-6-oxapentacyclo[12.3.1.03,11.04,7.09,11]octadec-14-en-2-yl] benzoate

이름 및 동의어

Larotaxel156294-36-9XRP9881XRP-9881TWQ8K8A81Y[(1S,2S,3R,4S,7R,9S,11R,13R,16S)-4,13-diacetyloxy-1-hydroxy-16-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-15,18,18-trimethyl-12-oxo-6-oxapentacyclo[12.3.1.03,11.04,7.09,11]octadec-14-en-2-yl] benzoateBenzenepropanoic acid, beta-(((1,1-dimethylethoxy)carbonyl)amino)-alpha-hydroxy-, (1S,2S,4S,7R,8aR,9aS,10aR,12aS,12bR)-7,12a-bis(acetyloxy)-1-(benzoyloxy)-1,3,4,7,8,9,9a,10,10a,12,12a,12b-dodecahydro-2-hydroxy-5,13,13-trimethyl-8-oxo-2,6-methano-2H-cyclodeca(3,4)cyclopropa(4,5)benz(1,2-b)oxet-4-yl ester, (alphaR,betaS)-Benzenepropanoic acid, beta-[[(1,1-dimethylethoxy)carbonyl]amino]-alpha-hydroxy-, (1S,2S,4S,7R,8aR,9aS,10aR,12aS,12bR)-7,12a-bis(acetyloxy)-1-(benzoyloxy)-1,3,4,7,8,9,9a,10,10a,12,12a,12b-dodecahydro-2-hydroxy-5,13,13-trimethyl-8-oxo-2,6-methano-2H-cyclodeca[3,4]cyclopropa[4,5]benz[1,2-b]oxet-4-yl ester, (alphaR,betaS)-DTXSID60935420larotaxelum((1S,2S,3R,4S,7R,9S,11R,13R,16S)-4,13-diacetyloxy-1-hydroxy-16-((2R,3S)-2-hydroxy-3-((2-methylpropan-2-yl)oxycarbonylamino)-3-phenylpropanoyl)oxy-15,18,18-trimethyl-12-oxo-6-oxapentacyclo(12.3.1.03,11.04,7.09,11)octadec-14-en-2-yl) benzoateRefChem:152383
이름 더 보기
Taxoid-109881DTXCID201767089RPR109881ARPR109881RPR-109881RPR 109881ALarotaxel [INN]Larotaxel (dihydrate)

데이터베이스 식별자

CAS
156294-36-9
PubChem CID
6918260
ChEMBL
CHEMBL4279455
UNII
TWQ8K8A81Y
Nikkaji
J912.846H

물성

구조 계산 물성보충 중

XLogP
2.7
극성 표면적
210 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
14
회전 가능 결합 수
15
무거운 원자 수
60

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

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