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Docetaxel-[d5]

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General Information
Catalog: BLP-007881
Molecular Formula: C43H48D5NO14
Molecular Weight: 812.91

Chemical Structure

Description	Docetaxel-[d5] is the labelled analogue of Docetaxel, which is an inhibitior of microtubule disassembly.
Synonyms	Docetaxel-d5; (αR,βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-α-hydroxybenzenepropanoic Acid (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy-d5)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl Ester; Docetaxol-d5; N-Debenzoyl-N-(tert-butoxycarbonyl)-10-deacetyltaxol-d5; Taxotere-d5
IUPAC Name	[(1S,3R,4S,7R,9S,10S,12R)-4-acetyloxy-1,9,12-trihydroxy-15-[(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] 2,3,4,5,6-pentadeuteriobenzoate
Related CAS	114977-28-5 (unlabelled)
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
InChI	InChI=1S/C43H53NO14/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)/t26?,27-,28+,30-,31+,32?,33-,35?,41+,42-,43+/m0/s1/i10D,13D,14D,17D,18D
InChI Key	ZDZOTLJHXYCWBA-YODBGQSESA-N
Melting Point	>162°C (dec.)
Purity	≥97%; ≥98% atom D
Solubility	Slightly soluble in Chloroform, Methanol
Appearance	White Solid
Storage	Store at -20°C