Paclitaxel-d5 (benzoyloxy)

• CAT Number: S000326
• CAS Number: 1261254-56-1
• Molecular Formula: C47H46D5NO14
• Molecular Weight: 858.94
• Purity: ≥95%
• 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
• 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
• InChIKey: RCINICONZNJXQF-IRNQFUICSA-N
• 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

Paclitaxel-d5 (benzoyloxy)（Cat No.:S000326） is a deuterated form of paclitaxel, where five hydrogen atoms are replaced with deuterium, specifically within the benzoyloxy group. Paclitaxel is a chemotherapeutic agent used primarily for treating various cancers, including ovarian, breast, and lung cancer. The addition of deuterium increases the molecule’s stability and allows for more precise pharmacokinetic and metabolic studies. This isotopic labeling aids in tracing the drug’s distribution and metabolism within the body, enhancing understanding of its therapeutic pathways and potentially improving the efficacy and safety of paclitaxel-based cancer treatments.