API reference
Docetaxel trihydrate
- CAS number
- 148408-66-6
- Molecular formula
- C43H59NO17
- Molecular weight
- 861.9 g/mol
About this molecule
Docetaxel trihydrate is the trihydrate form of docetaxel. It is used for the treatment of breast, ovarian, and non-small cell lung cancer, and with prednisone or prednisolone in hormone-refractory metastatic prostate cancer. It has a role as an antineoplastic agent. It is a secondary alpha-hydroxy ketone and a hydrate. It contains a member of docetaxel anhydrous.
Source: ChEBI, via PubChem.
Identifiers
- IUPAC name
- [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R,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] benzoate;trihydrate
- InChIKey
- XCDIRYDKECHIPE-QHEQPUDQSA-N
- SMILES
- CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](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.O.O.O
- PubChem CID
- 148123
Also known as
Docetaxel trihydrate · Docetaxel hydrate · Docetaxel (Trihydrate) · Taxotere (TN) · Docetaxel (USP) · Docetaxel trihydrate CRS · Docetaxel hydrate (JP18) · Docetaxel (Trihydrate) (Standard)
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