Name: Hexanoyl Docetaxel Metabolites M1 and M3-[d6] (Mixture of Diastereomers)
Brand: BOC Sciences
Rating: 5 (1 reviews)

General Information

Catalog: BLP-015026

Molecular Formula: C49H55D6NO16

Molecular Weight: 926.05

Chemical Structure

Description	Hexanoyl Docetaxel Metabolites M1 and M3-[d6] (Mixture of Diastereomers) is the labelled metabolite of Docetaxel, which is a chemotherapy medication used to treat a number of types of cancer.
Synonyms	Hexanoyl Docetaxel Metabolites M1 and M3-d6 (Mixture of Diastereomers)
IUPAC Name	(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-9-(((2R,3S)-2-(hexanoyloxy)-3-(4-hydroxy-5,5-bis(methyl-d3)-2-oxooxazolidin-3-yl)-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
Canonical SMILES	O=C(O[C@@H]([C@@]1([H])[C@@]2(C)[C@@H](O)C[C@@]3([H])OC[C@]31OC(C)=O)[C@@](O)(C4(C)C)C[C@H](OC([C@H](OC(CCCCC)=O)[C@H](N5C(OC(C5O)(C([2H])([2H])[2H])C([2H])([2H])[2H])=O)C6=CC=CC=C6)=O)C(C)=C4[C@@H](O)C2=O)C7=CC=CC=C7
InChI	InChI=1S/C49H61NO16/c1-9-10-13-22-33(53)63-37(35(28-18-14-11-15-19-28)50-43(58)46(6,7)66-44(50)59)42(57)62-30-24-49(60)40(64-41(56)29-20-16-12-17-21-29)38-47(8,39(55)36(54)34(26(30)2)45(49,4)5)31(52)23-32-48(38,25-61-32)65-27(3)51/h11-12,14-21,30-32,35-38,40,43,52,54,58,60H,9-10,13,22-25H2,1-8H3/t30-,31-,32+,35+,36+,37+,38-,40-,43?,47+,48-,49+/m0/s1/i6D3,7D3
InChI Key	FQJRTTGMSDDSNW-ZIBXKZJSSA-N
Purity	>95%
Storage	Store at 2-8 °C