API reference
Eribulin mesylate
- CAS number
- 441045-17-6
- Molecular formula
- C41H63NO14S
- Molecular weight
- 826 g/mol
About this molecule
Eribulin mesylate is a methanesulfonate salt obtained by reaction of eribulin with one equivalent of methanesulfonic acid. A fully synthetic macrocyclic ketone analogue of marine sponge natural products. Inhibits growth phase of microtubules via tubulin-based antimitotic mechanism, which leads to G2/M cell-cycle block, disruption of mitotic spindles, and, ultimately, apoptotic cell death after prolonged mitotic blockage. It has a role as an antineoplastic agent and a microtubule-destabilising agent. It contains an eribulin(1+).
Source: ChEBI, via PubChem.
Identifiers
- IUPAC name
- (1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35R,36S)-20-[(2S)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.13,32.13,33.16,9.112,16.018,22.029,36.031,35]hentetracontan-24-one;methanesulfonic acid
- InChIKey
- QAMYWGZHLCQOOJ-WRNBYXCMSA-N
- SMILES
- C[C@@H]1C[C@@H]2CC[C@H]3C(=C)C[C@@H](O3)CC[C@]45C[C@@H]6[C@H](O4)[C@H]7[C@@H](O6)[C@@H](O5)[C@@H]8[C@@H](O7)CC[C@@H](O8)CC(=O)C[C@H]9[C@H](C[C@H](C1=C)O2)O[C@@H]([C@@H]9OC)C[C@@H](CN)O.CS(=O)(=O)O
- PubChem CID
- 17755248
Also known as
Eribulin mesylate · Eribulin mesilate · Halaven · Eribulin (as mesylate) · Eribulin monomethanesulfonate · Halichondrin B Analog · Eribulin (mesylate) · Eribulin mesylate (USAN)
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