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Docetaxel Metabolites M1 and M3-[d6] (Mixture of Diastereomers)

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General Information
Catalog: BLP-007912
Molecular Formula: C43H45D6NO15
Molecular Weight: 827.90

Chemical Structure

Description	Docetaxel Metabolites M1 and M3-[d6] (Mixture of Diastereomers) is the labelled analogue of Docetaxel Metabolites M1 and M3 (Mixture of Diastereomers), which is a metabolite of Docetaxel.
Synonyms	Docetaxel-d6 Metabolites M1 and M3 (Mixture of Diastereomers); RPR 111026-d6
IUPAC Name	[(1R,2R,3S,4R,7S,9R,10R,12S,15R)-4-acetyloxy-1,9,12-trihydroxy-15-[(2S,3R)-2-hydroxy-3-[4-hydroxy-2-oxo-5,5-bis(trideuteriomethyl)-1,3-oxazolidin-3-yl]-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
Related CAS	157067-33-9 (unlabelled) 157183-03-4 (unlabelled)
Canonical SMILES	CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)N6C(C(OC6=O)(C)C)O)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)O
InChI	InChI=1S/C43H51NO15/c1-21-25(56-36(51)31(48)29(23-14-10-8-11-15-23)44-37(52)40(5,6)59-38(44)53)19-43(54)34(57-35(50)24-16-12-9-13-17-24)32-41(7,33(49)30(47)28(21)39(43,3)4)26(46)18-27-42(32,20-55-27)58-22(2)45/h8-17,25-27,29-32,34,37,46-48,52,54H,18-20H2,1-7H3/t25-,26-,27+,29-,30+,31+,32-,34-,37?,41+,42-,43+/m1/s1/i5D3,6D3
InChI Key	MZGHWPNTSVYFCV-KVDRGKOYSA-N
Melting Point	185-188°C
Purity	≥96%; ≥99% atom D
Solubility	Slightly soluble in Chloroform, Methanol
Appearance	Off-white Solid
Storage	Store at -20°C