6-Oxodocetaxel

Base Information Edit

Chemical Name:6-Oxodocetaxel
CAS No.:167074-97-7
Molecular Formula:C43H51NO14
Molecular Weight:805.8633
Hs Code.:
European Community (EC) Number:892-385-4
UNII:VB305F5FMZ
DSSTox Substance ID:DTXSID50168225
Wikidata:Q27291739
Mol file:167074-97-7.mol

Synonyms:10-Oxo Docetaxel;6-Oxodocetaxel;167074-97-7;Docetaxel Impurity B;10-Deoxy-10-oxodocetaxel;Docetaxel Impurity 1;UNII-VB305F5FMZ;VB305F5FMZ;Docetaxel trihydrate impurity B [EP];Docetaxel trihydrate specified impurity B [EP];Docetaxel Impurity B (10-Oxo Docetaxel);[(1S,2S,3R,4S,7R,9S,10S,15S)-4-acetyloxy-1,9-dihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11,12-dioxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;5beta,20-Epoxy-1,7beta-dihydroxy-9,10-dioxotax-11-ene-2alpha,4,13alpha-triyl 4-acetate 2-benzoate 13-((2R,3S)-3-(((1,1-dimethylethoxy)carbonyl)amino)-2-hydroxy-3-phenylpropanoate);Docetaxel Impurity;SCHEMBL12127074;DTXSID50168225;CS-3192;HY-16674;MS-31487;DOCETAXEL TRIHYDRATE IMPURITY B [EP IMPURITY];Q27291739;5.BETA.,20-EPOXY-1,7.BETA.-DIHYDROXY-9,10-DIOXOTAX-11-ENE-2.ALPHA.,4,13.ALPHA.-TRIYL 4-ACETATE 2-BENZOATE 13-((2R,3S)-3-(((1,1-DIMETHYLETHOXY)CARBONYL)AMINO)-2-HYDROXY-3-PHENYLPROPANOATE)

Suppliers and Price of 6-Oxodocetaxel

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
10-OxoDocetaxel
25mg
$ 2180.00

Medical Isotopes, Inc.
10-Oxo-Docetaxel(impurityB) 98%
5 mg
$ 1750.00

Crysdot
10-Oxodocetaxel 98+%
10mg
$ 1147.00

Crysdot
10-Oxodocetaxel 98+%
5mg
$ 630.00

ChemScene
10-OxoDocetaxel 98.04%
10mg
$ 1966.00

ChemScene
10-OxoDocetaxel 98.04%
1mg
$ 326.00

ChemScene
10-OxoDocetaxel 98.04%
5mg
$ 1080.00

Chemenu
10-Oxodocetaxel 98%
10mg
$ 1073.00

Cayman Chemical
10-oxo Docetaxel
1mg
$ 245.00

Cayman Chemical
10-oxo Docetaxel
500μg
$ 175.00

Total 21 raw suppliers

Chemical Property of 6-Oxodocetaxel Edit

Chemical Property:

Melting Point:152-158°C
Boiling Point:887.3±65.0 °C(Predicted)
PKA:11.19±0.46(Predicted)
PSA：224.78000
Density:1.37±0.1 g/cm3 (20 oC 760 Torr)
LogP:3.67220
Storage Temp.:Hygroscopic, -20?C Freezer, Under Inert Atmosphere
Solubility.:Chloroform (Slightly), Methanol (Slightly)
XLogP3:2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:13
Exact Mass:805.33095530
Heavy Atom Count:58
Complexity:1700

Purity/Quality:

97% ^*data from raw suppliers

10-OxoDocetaxel ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C2C(=O)C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C
Isomeric SMILES:CC1=C2C(=O)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
Uses 10-Oxo Docetaxel (Docetaxel EP Impurity B) is a novel taxoid having remarkable anti-tumor properties. Docetaxel (D494420) intermediate. This product is unstable in solution, epimerize. A novel taxoid having remarkable anti-tumor properties. Docetaxel

Technology Process of 6-Oxodocetaxel

There total 5 articles about 6-Oxodocetaxel which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 54.0%