Docetaxel Anhydrous

cas: 114977-28-5 — see every product listed under this CAS number, including other names

Docetaxel Anhydrous (CAS 114977-28-5) is a chemical reagent available from Chemat. Available pack sizes: 100mg, 10mg. Offered by: Mikromol, LoGiCal.

brandMikromol
catalog numberMM3390.00
cas114977-28-5
size100mg
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Available pack sizes

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Mikromol 100mg price on request
LoGiCal 10mg price on request

properties

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Docetaxel anhydrous is a tetracyclic diterpenoid that is paclitaxel with the N-benzyloxycarbonyl group replaced by N-tert-butoxycarbonyl, and the acetoxy group at position 10 replaced by a hydroxy group. It has a role as an antineoplastic agent, an antimalarial and a photosensitizing agent. It is a secondary alpha-hydroxy ketone and a tetracyclic diterpenoid. It derives from a hydride of a taxane.

Source: ChEBI

Identity
Molecular formulaC43H53NO14
Molecular weight807.9 g/mol
IUPAC name[(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
InChIKeyZDZOTLJHXYCWBA-VCVYQWHSSA-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)O

Computed by PubChem (NCBI)

Synonyms: docetaxel, Taxotere, Docetaxel anhydrous, Docetaxel Kabi, Docetaxel Winthrop, Docefrez, DOCETAXEL MYLAN, Docetaxel Teva, Docetaxel Accord, DOCETAXEL TEVA PHARMA
Related forms of this compound
[(1S,2S,3R,4S,7R,9R,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 C43H53NO14
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2S,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 C43H53NO14
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]oxycarbonylamino]-2-hydroxy-3-phenylpropanoyl]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 C43H53NO14
[(2S,3S,4S,7S,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R,3R)-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 C43H53NO14
Isomers (same molecular formula)
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,15-trihydroxy-12-[(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 C43H53NO14
[(1S,2S,3R,4E,9S)-3-[(2R,3S)-3-acetyloxy-2-(2-hydroxyethyl)oxetan-3-yl]-1,5-dihydroxy-9-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-4,8,11,11-tetramethyl-6-oxo-2-bicyclo[5.3.1]undeca-4,7-dienyl] benzoate C43H53NO14
[(1R,2R,3aR,4S,5S,6Z,9S,10S,11S,13R,13aS)-2,4,13-triacetyloxy-1-benzoyloxy-3a,10-dihydroxy-2,5,8,8-tetramethyl-12-methylidene-11-(2-methylpropanoyloxy)-3,4,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-9-yl] pyridine-3-carboxylate C43H53NO14

Also listed as

Docetaxel, 97% Combi-blocks CAS 114977-28-5
Docetaxel Chemat Brand CAS 114977-28-5
Docetaxel, >95% (HPLC) TRC CAS 114977-28-5
Docetaxel/ 99.03% (existing batch purity) TargetMol CAS 114977-28-5
Docetaxel, 99% Thermo Scientific (Alfa Aesar) CAS 114977-28-5
Docetaxel - Bio-X â„¢ Biosynth CAS 114977-28-5
Docetaxel, >98.0%(HPLC) TCI CAS 114977-28-5
Docetaxel, 98% Thermo Scientific (Acros) CAS 114977-28-5
Docetaxel, 98.00% Chemat CAS 114977-28-5
DOCETAXEL* Sigma-Aldrich CAS 114977-28-5
(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, 98%, 98% Chemat CAS 114977-28-5
Docetaxel, 99.94% MedChemExpress CAS 114977-28-5
Docetaxel (Standard), 99.92% MedChemExpress CAS 114977-28-5
Docetaxel, min. 95 %, 500 mg Roth CAS 114977-28-5
Docetaxel, min. 95 %, 1 g Roth CAS 114977-28-5
Docetaxel, BioScience Grade, 10 mg Roth CAS 114977-28-5