API reference
Paclitaxel
- CAS number
- 33069-62-4
- Molecular formula
- C47H51NO14
- Molecular weight
- 853.9 g/mol
About this molecule
Paclitaxel is a tetracyclic diterpenoid isolated originally from the bark of the Pacific yew tree, Taxus brevifolia. It is a mitotic inhibitor used in cancer chemotherapy. Note that the use of the former generic name 'taxol' is now limited, as Taxol is a registered trade mark. It has a role as a metabolite, an antineoplastic agent, a microtubule-stabilising agent and a human metabolite. It is a taxane diterpenoid and a tetracyclic diterpenoid. It is functionally related to a baccatin III.
Source: ChEBI, via PubChem.
Identifiers
- 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] benzoate
- InChIKey
- RCINICONZNJXQF-MZXODVADSA-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)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C
- Other CAS numbers recorded
- 1203669-79-7
- PubChem CID
- 36314
Also known as
paclitaxel · TAXOL · Yewtaxan · Taxol A · Genaxol · Plaxicel · Ebetaxel · Genetaxyl
Chemical data on this page is drawn from PubChem (National Library of Medicine) and is provided for identification only. Hanpars does not hold stock of every substance listed; availability, grade, documentation and regulatory status are confirmed per enquiry.
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