Chemical Compound

Docetaxel Impurity 5

CAS Registry Number 1021489-55-3
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Docetaxel Impurity 5 chemical structure
Primary Record

Docetaxel Impurity 5

In stock
3,042 g
Purity
98.9 %
CAS
1021489-55-3

Compound Identifiers & Properties

CAS
1021489-55-3
PubChem CID
44140047
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)C(=O)C)OC(=O)OC(C)(C)C)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)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](OC(=O)OC(C)(C)C)[C@@H](NC(=O)C(C)=O)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C

Names & Synonyms

  • Docetaxel Impurity 5
  • Docetaxel Impurity 23
  • O-BOC-N-Pyruvyl Docetaxel
  • Z54LE9EUG4
  • 1021489-55-3
  • Docetaxel Impurity 10 (O-BOC N-pyruvy ldocetaxel)
  • (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 (alphaR,betaS)-alpha-[[(1,1-dimethylethoxy)carbonyl]oxy]-beta-[(1,2-dioxopropyl)amino]benzenepropanoate
  • (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-9-(((2R,3S)-2-((tert-butoxycarbonyl)oxy)-3-(2-oxopropanamido)-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]
  • Benzenepropanoic acid, a-[[(1,1-dimethylethoxy)carbonyl]oxy]-ss-[(1,2-dioxopropyl)amino]-, (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, (aR,ssS)-; O-BOC N-Pyruvyl Docetaxel; (2aR,4R,4aS,9S,11S,12S,12aR,12bS)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-Dodecahydro-4,9,11,12,12b-pentahydroxy-4a,8,13,13-tetramethyl-7,11-methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5,6-dione 12b-acetate 12-benzoate 9-ester with (2R,3S)-2-(tert-butoxycarbonyloxy)-3-(2-oxopropanamido)-3-phenylpropanoic acid
  • Benzenepropanoic acid, alpha-[[(1,1-dimethylethoxy)carbonyl]oxy]-beta-[(1,2-dioxopropyl)amino]-, (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, (alphaR,betaS)-