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Chemical structure of Cabazitaxel-d9

GC45395

Cabazitaxel-d9

Also known as [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]oxycarbonylamino]-2-hydroxy-3-phenylpropanoyl]oxy-1-hydroxy-9,12-dimethoxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

Cabazitaxel-d9 is deuterium labeled Cabazitaxel· Cabazitaxel is a semi-synthetic derivative of the natural taxoid 10-deacetylbaccatin III with potential antineoplastic activity

ChemicalCAS1383572-19-7MW845FormulaC45H48D9NO14
CAS number
1383572-19-7
Molecular weight
845
Formula
C45H48D9NO14
Solubility
DMSO： soluble,Methanol： soluble
InChIKey
BMQGVNUXMIRLCK-MOAUBYJKSA-N
Catalogue number
GC45395
Brand
GLPBIO
Computed properties PubChem CID 57524313 · XLogP 2.7 · TPSA 202 Ų · H-bond donors 3
XLogP
2.7
TPSA
202 Ų
H-bond donors
3
H-bond acceptors
14
Rotatable bonds
15
Heavy atoms
60

SMILES [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])OC(=O)N[C@@H](C1=CC=CC=C1)[C@H](C(=O)O[C@H]2C[C@]3([C@H]([C@H]4[C@@]([C@H](C[C@@H]5[C@]4(CO5)OC(=O)C)OC)(C(=O)[C@@H](C(=C2C)C3(C)C)OC)C)OC(=O)C6=CC=CC=C6)O)O

Computed descriptors from PubChem (CID 57524313), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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