Docetaxel Impurity 1

cas: 158810-73-2 — see every product listed under this CAS number, including other names

Docetaxel Impurity 1 (CAS 158810-73-2) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULD1923
cas158810-73-2
sizeon request
availability Do potwierdzenia przez Chemat|To be confirmed by Chemat
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categoryChemicals
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Structural formula: {0} (CAS {1})

[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-12-(2,2-dichloroethoxycarbonyloxy)-1,9-dihydroxy-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 (CAS 158810-73-2) is a chemical compound with the molecular formula C46H55Cl2NO16 and a molecular weight of 948.8 g/mol. IUPAC name: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-12-(2,2-dichloroethoxycarbonyloxy)-1,9-dihydroxy-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. InChIKey: NOGDKPUOAHYBCO-OMYDMPTMSA-N.

Identity
Molecular formulaC46H55Cl2NO16
Molecular weight948.8 g/mol
IUPAC name[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-12-(2,2-dichloroethoxycarbonyloxy)-1,9-dihydroxy-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
InChIKeyNOGDKPUOAHYBCO-OMYDMPTMSA-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)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OC(=O)OCC(Cl)Cl

Computed by PubChem (NCBI)

Synonyms: 10-O-2,2-Dichloroethoxycarbonyl Docetaxel, Docetaxel Impurity 16
Isomers (same molecular formula)
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-9-(2,2-dichloroethoxycarbonyloxy)-1,12-dihydroxy-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 C46H55Cl2NO16

Also listed as

Docetaxel Impurity 15 Hubei YoungXin CAS 158810-73-2
10-O-2,2-Dichloroethoxycarbonyl Docetaxel, >95% (HPLC) TRC CAS 158810-73-2
10-O-2,2-Dichloroethoxycarbonyl docetaxel Biosynth CAS 158810-73-2
6-DICHLOROETHOXYCARBONYL DOCETAXEL Sigma-Aldrich CAS 158810-73-2