Products 456-59-7

CAS 456-59-7 appears in our catalog under these names: Cyclandelate, Cyclandelate/ 98%, Cyclandelate (mixture of isomers), >94.0%(GC), Benzeneacetic acid, α-hydroxy-, 3,3,5-trimethylcyclohexyl ester, 94%, 94%, Cyclandelate, 99.45%. Offered by: Mikromol, LoGiCal, TargetMol, GLPBio, TCI. Available pack sizes: 250mg, 10mg, 1g, 5g, 10g, 10mM (in 1ml dmso), 50mg, 25g.

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

Cyclandelate is the ester obtained by formal condensation of mandelic acid and 3,3,5-tricyclohexanol. It is a direct-acting smooth muscle relaxant used to dilate blood vessels. It has a role as a vasodilator agent. It is a carboxylic ester and a secondary alcohol. It is functionally related to a mandelic acid and a 3,3,5-trimethylcyclohexanol.

Source: ChEBI

Identity
Molecular formulaC17H24O3
Molecular weight276.4 g/mol
IUPAC name(3,3,5-trimethylcyclohexyl) 2-hydroxy-2-phenylacetate
InChIKeyWZHCOOQXZCIUNC-UHFFFAOYSA-N
SMILESCC1CC(CC(C1)(C)C)OC(=O)C(C2=CC=CC=C2)O

Computed by PubChem (NCBI)