Docetaxel Hydrate

ISO 17034:
Catalog Number : CS-T-53747
CAS Number : 700367-34-6
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What is the Chemical Information of Docetaxel Hydrate?

Chemical Name : Docetaxel Hydrate
Category : Impurities
Therapeutic : Anti-Cancer / Oncology

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Canonical SMILES : CC1=C2C(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)O.O
Isomeric 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)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O.O
InChI : InChI=1S/C43H53NO14.H2O/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45;/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52);1H2/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+;/m0./s1
InchIKey : YWKYKORYUFJSCV-XKIQGVRMSA-N
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;hydrate
Exact Mass : 825.35717005

What are the Impurities of Docetaxel ?

CAT NO. COMPOUND CAS NO. Category
CS-T-54108 "6,7-Epoxy Docetaxel" 181208-36-6 Docetaxel Impurities
CS-P-07662 "Docetaxel Related Compound 1 ((2R, 3S)-3-Phenylis 136561-53-0 Docetaxel Impurities
CS-P-07663 "Docetaxel Related Compound 2 ((2R, 3S)-Boc-3-Phen 145514-62-1 Docetaxel Impurities
CS-O-14697 10- Dec Docetaxel 158810-73-2 Docetaxel Impurities
CS-T-53936 10-Acetyl Docetaxel 125354-16-7 Docetaxel Impurities
CS-O-31077 2- Epi Docetaxel 133577-33-0 Docetaxel Impurities
CS-P-07667 2-Debenzoyl-2-pentenoyl Docetaxel 1412898-66-8 Docetaxel Impurities
CS-T-94110 2-Desbenzoyl-2-tiglyl Docetaxel 1887057-05-7 Docetaxel Impurities
CS-T-84673 6-Oxo Docetaxel 1412898-68-0 Docetaxel Impurities
CS-T-52111 Desbenzoyl Docetaxel 160972-48-5 Docetaxel Impurities
CS-EO-01284 Docetaxel 13-Oxo impurity NA Docetaxel Impurities
CS-O-34296 Docetaxel Crotonaldehyde Analog NA Docetaxel Impurities
CS-P-07664 Docetaxel Impurity 2 158810-72-1 Docetaxel Impurities
CS-EO-00899 Docetaxel Impurity 20 1217248-58-2 Docetaxel Impurities
CS-P-07665 Docetaxel Impurity 4 (Oxazolidine 4S 153744-63-9 Docetaxel Impurities
CS-P-07666 Docetaxel Impurity 7 (Oxazolidine 4R 223134-87-0 Docetaxel Impurities
CS-O-15619 Docetaxel Impurity A NA Docetaxel Impurities
CS-O-31070 Docetaxel Impurity B 167074-97-7 Docetaxel Impurities
CS-O-31100 Docetaxel Impurity C 153381-68-1 Docetaxel Impurities
CS-O-42772 Docetaxel side chain impurity 157580-39-7 Docetaxel Impurities
CS-O-14698 N- Formyl Docetaxel NA Docetaxel Impurities
CS-T-73745 N-DesBoc Docetaxel 133524-69-3 Docetaxel Impurities