Products 685141-23-5

CAS 685141-23-5 is the registry number for BXL0124. Offered by: TargetMol. Available pack sizes: 25mg, 50mg, 100mg.

Structural formula: {0} (CAS {1})

Gemini-0097 is a tetrol, an organofluorine compound, a hydroxycalciol, a member of D3 vitamins and a deuterated compound. It has a role as a vitamin D receptor agonist and an antineoplastic agent.

Source: ChEBI

Identity
Molecular formulaC32H44F6O4
Molecular weight606.7 g/mol
IUPAC nametrans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(6R)-1,1,1-trifluoro-2,10-dihydroxy-10-methyl-2-(trifluoromethyl)undec-3-yn-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
InChIKeyVSOWXEHVBCDXAY-GEJQTTJQSA-N
SMILESC[C@]12CCC/C(=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)/[C@@H]1CC[C@@H]2[C@H](CCCC(C)(C)O)CC#CC(C(F)(F)F)(C(F)(F)F)O

Computed by PubChem (NCBI)