Paclitaxel-[d5]

General Information
Catalog: BLP-003717
CAS: 1129540-33-5
Molecular Formula: C47H46D5NO14
Molecular Weight: 858.94
Related CAS: 33069-62-4 (unlabelled)
Description Paclitaxel-[d5], is the labelled analogue of Paclitaxel. Paclitaxel is a chemotherapy medication used to treat a number of types of cancer.
Synonyms Paclitaxel-D5 (Benzoylamine)
IUPAC Name [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-1,9-dihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2,3,4,5,6-pentadeuteriobenzoyl)amino]-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
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/i8D,12D,13D,18D,19D
InChI Key RCINICONZNJXQF-JQTCHTAZSA-N
Boiling Point 957.1±65.0°C at 760 mmHg
Melting Point 154-156°C
Purity 98% by CP; 98% atom D
Density 1.4±0.1 g/cm3
Solubility Soluble in Chloroform, Methanol
Appearance White to Off-white Solid
Storage Store at-20°C

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