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Paclitaxel-[d5]

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General Information
Catalog: BLP-012502
CAS: 1261254-56-1
Molecular Formula: C47H46D5NO14
Molecular Weight: 858.94

Chemical Structure

Description	Paclitaxel-[d5] is the labelled analogue of Paclitaxel, which is isolated from the Pacific yew and approved as a chemotherapy medication.
Synonyms	Paclitaxel-D5 (Benzoyloxy); (5beta,7beta,10beta,13alpha)-4,10-Bis(acetyloxy)-13-{[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy}-1,7-dihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl (2H5)benzoate
IUPAC Name	[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-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	33069-62-4 (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)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C
InChI	InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1/i9D,14D,15D,20D,21D
InChI Key	RCINICONZNJXQF-IRNQFUICSA-N
Boiling Point	957.1±65.0 °C at 760 mmHg
Melting Point	>200°C (dec.)
Purity	95% by HPLC; 95% atom D
Density	1.4±0.1 g/cm3
Solubility	Soluble in Chloroform, DMSO, Methanol
Appearance	White to Off-white Solid
Storage	Store at -20°C