Products 1021489-55-3

CAS 1021489-55-3 appears in our catalog under these names: Docetaxel Impurity 5, Docetaxel Impurity 23, O-BOC-N-Pyruvyl Docetaxel. Offered by: Chemat Brand, TRC. Available pack sizes: on request, 25mg.

Docetaxel Impurity 5
Chemat Brand
  • size: on request
  • Variants: 1
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Docetaxel Impurity 23
Chemat Brand
  • size: on request
  • Variants: 1
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O-BOC-N-Pyruvyl Docetaxel
TRC
  • size: 25mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-10,14,17,17-tetramethyl-15-[(2R,3S)-2-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-(2-oxopropanoylamino)-3-phenylpropanoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate (CAS 1021489-55-3) is a chemical compound with the molecular formula C46H55NO16 and a molecular weight of 877.9 g/mol. IUPAC name: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-10,14,17,17-tetramethyl-15-[(2R,3S)-2-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-(2-oxopropanoylamino)-3-phenylpropanoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate. InChIKey: WDUSAUGMDDMKKZ-TYRUGJKKSA-N.

Identity
Molecular formulaC46H55NO16
Molecular weight877.9 g/mol
IUPAC name[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-10,14,17,17-tetramethyl-15-[(2R,3S)-2-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-(2-oxopropanoylamino)-3-phenylpropanoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
InChIKeyWDUSAUGMDDMKKZ-TYRUGJKKSA-N
SMILESCC1=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

Computed by PubChem (NCBI)

Synonyms: O-BOC-N-Pyruvyl Docetaxel, Docetaxel Impurity 23, Docetaxel Impurity 10 (O-BOC N-pyruvy ldocetaxel)