Chemical Compound

Benzenepropanoic acid, beta-(((1,1-dimethylethoxy)carbonyl)amino)-alpha-hydroxy-, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester trihydrate, (2aR-(2aalpha,4beta,4abeta,6beta,9alpha(alphaR*,betaS),11alpha,12alpha,12aalpha,12balpha))-

CAS Registry Number 148408-66-6
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Benzenepropanoic acid, beta-(((1,1-dimethylethoxy)carbonyl)amino)-alpha-hydroxy-, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester trihydrate, (2aR-(2aalpha,4beta,4abeta,6beta,9alpha(alphaR*,betaS),11alpha,12alpha,12aalpha,12balpha))- 结构式
Primary record

Benzenepropanoic acid, beta-(((1,1-dimethylethoxy)carbonyl)amino)-alpha-hydroxy-, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester trihydrate, (2aR-(2aalpha,4beta,4abeta,6beta,9alpha(alphaR*,betaS),11alpha,12alpha,12aalpha,12balpha))-

库存
3,521 克
纯度
99.1 %
CAS
148408-66-6

化合物标识与属性

CAS
148408-66-6
PubChem CID
148123
SMILES
CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O.O.O.O
Canonical SMILES
CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C.O.O.O

名称与同义词

  • Docetaxel trihydrate
  • Docetaxel hydrate
  • docetaxel
  • Taxotere
  • Docefrez
  • Docetaxel Teva
  • Docetaxel Accord
  • Docetaxel RS
  • 148408-66-6
  • Docetaxel (Trihydrate)
  • Docetaxel (USP)
  • Taxotere (TN)
  • Docetaxel (as trihydrate)
  • Docetaxel trihydrate CRS
  • DOCETAXELTRIHYDRATE
  • AC1L3WHG
  • DOCETAXEL [USAN]
  • XRP6976
  • DOCETAXEL [VANDF]
  • RefChem:1083931
  • UNII-15H5577CQD
  • DOCETAXEL [USP-RS]
  • DOCETAXEL [WHO-DD]
  • Docetaxel hydrate (JP18)
  • DOCETAXEL [EMA EPAR]
  • CHEBI:59809
  • Docetaxel [USAN:INN:BAN]
  • SCHEMBL189599
  • DTXSID80872444
  • Docetaxel [USAN:USP:INN:BAN]
  • MFCD26960948
  • XCDIRYDKECHIPE-QHEQPUDQSA-N
  • 15H5577CQD
  • Docetaxel trihydrate [WHO-DD]
  • HY-B0011AR
  • DOCETAXEL [ORANGE BOOK]
  • DOCETAXEL HYDRATE [JAN]
  • 148408-66-6 (hydrate)
  • CHEMBL3545252
  • DOCETAXEL [EP MONOGRAPH]
  • DOCETAXEL [USP IMPURITY]
  • RP 56976
  • HY-B0011A
  • DOCETAXEL [USP MONOGRAPH]
  • DOCETAXEL TRIHYDRATE [MI]
  • DTXCID10820094
  • C43H53NO14.3H2O
  • C43H59NO17
  • Docetaxel (Trihydrate) (Standard)
  • AN-701
  • CID148123
  • Docetaxel for system suitability CRS
  • RP-56976
  • AKOS026749818
  • ACN-041302
  • CS-1597
  • CS-O-00225
  • FD29606
  • NSC 759850
  • RT-R09-154
  • Docetaxel trihydrate - Bio-X trade mark
  • BD164375
  • C43-H53-N-O14.3H2-O
  • SY277536
  • DOCETAXEL TRIHYDRATE [EP MONOGRAPH]
  • FT-0651523
  • D02165
  • A884359
  • Docetaxel for system suitability CRS (Y0001155)
  • Q27126905
  • N-debenzoyl-N-(tert-butoxycarbonyl)-10-deacetyltaxol trihydrate
  • N-debenzoyl-N-(tert-butoxycarbonyl)-10-deacetylpaclitaxel trihydrate
  • (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-9-(((2R,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-3-phenylpropanoyl)oxy)-4,6,11-trihydroxy-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 trihydrate
  • (2R,3S)-N-Carboxy-3-phenylisoserine, N-tert-butyl ester, 13-ester with 5beta,20-epoxy-1,2alpha,4,7beta,10beta,13alpha-hexahydroxytax-11-en-9-one 4-acetate 2-benzoate, trihydrate
  • [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;trihydrate
  • 4-(acetyloxy)-13alpha-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7beta,10beta-trihydroxy-9-oxo-5beta,20-epoxytax-11-en-2alpha-yl benzoate--water (1/3)
  • 700367-34-6
  • 7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete Benzenepropanoic Acid Deriv.
  • (1S,2S,3R,4S,5R,7S,8S,10R,13S)-4-Acetoxy-2-benzoyloxy-5,20-epoxy-1,7,10-trihydroxy-9-oxotax-11-en-13-yl (2R,3S)-3-(1,1-dimethylethyl)oxycarbonylamino-2-hydroxy-3-phenylpropanoate trihydrate
  • (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-Acetoxy-9-[[(2R,3S)-3-([(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl]oxy]-4,6,11-trihydroxy-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 Trihydrate
  • (alphaR,betaS)-beta-[[(1,1-Dimethylethoxy)carbonyl]amino]-alpha-hydroxybenzenepropanoic 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-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl Ester Hydrate
  • [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetoxy-15-[(2R,3S)-3-(tert-butoxycarbonylamino)-2-hydroxy-3-phenyl-propanoyl]oxy-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;trihydrate
  • [(1S,2S,4S,7R,9S,10S,12R,15S)-4-Acetyloxy-1,9,12-trihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
  • 1,7|A,10|A-trihydroxy-9-oxo-5|A,20-epoxytax-11-ene-2|A,4,13|A-triyl 4-acetate 2-benzoate 13-{(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoate} trihydrate
  • 114977-28-5
  • 1279037-32-9
  • 4-(acetyloxy)-13alpha-(((2R,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-3-phenylpropanoyl)oxy)-1,7beta,10beta-trihydroxy-9-oxo-5beta,20-epoxytax-11-en-2alpha-yl benzoate--water (1/3)
  • 4-(Acetyloxy)-13alpha-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7beta,10beta-trihydroxy-9-oxo-4alpha,5beta-5,20-epoxytax-11-en-2alpha-yl benzoate--water (1/3)
  • Benzenepropanoic acid, beta-(((1,1-dimethylethoxy)carbonyl)amino)-alpha-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-4,6,11-trihydroxy-4a,8,1313-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester, trihydrate, (alphaR,betaS)-
  • Benzenepropanoic acid, beta-(((1,1-dimethylethoxy)carbonyl)amino)-alpha-hydroxy-, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester trihydrate, (2aR-(2aalpha,4beta,4abeta,6beta,9alpha(alphaR*,betaS),11alpha,12alpha,12aalpha,12balpha))-