CymitQuimica logo

CAS 791115-04-3

:

Benzeneacetic acid, α-cyclohexyl-α-hydroxy-, 4-(diethylamino)-1,1-dimethyl-2-butyn-1-yl ester, hydrochloride, hydrate (1:1:1)

Description:
Benzeneacetic acid, α-cyclohexyl-α-hydroxy-, 4-(diethylamino)-1,1-dimethyl-2-butyn-1-yl ester, hydrochloride, hydrate (1:1:1) is a complex organic compound characterized by its unique structural features, which include a benzeneacetic acid moiety and a diethylamino group. This compound is typically classified as an ester and is known for its potential pharmacological properties. The presence of the hydrochloride indicates that it is a salt form, which often enhances solubility in water and bioavailability. The hydrate form suggests that it contains water molecules in its crystalline structure, which can influence its stability and handling. The compound may exhibit various biological activities, making it of interest in medicinal chemistry. Its synthesis and characterization involve standard organic chemistry techniques, and it is essential to handle it with care due to potential toxicity associated with the diethylamino group. As with many organic compounds, its physical properties, such as melting point and solubility, can vary based on environmental conditions and the presence of solvents.
Formula:C24H35NO3·ClH·H2O
InChI:InChI=1S/C24H35NO3.ClH.H2O/c1-5-25(6-2)19-13-18-23(3,4)28-22(26)24(27,20-14-9-7-10-15-20)21-16-11-8-12-17-21;;/h7,9-10,14-15,21,27H,5-6,8,11-12,16-17,19H2,1-4H3;1H;1H2
InChI key:InChIKey=FERSVTRMSSXKOL-UHFFFAOYSA-N
SMILES:C(C(OC(C#CCN(CC)CC)(C)C)=O)(O)(C1CCCCC1)C2=CC=CC=C2.Cl.O
Synonyms:
  • Benzeneacetic acid, α-cyclohexyl-α-hydroxy-, 4-(diethylamino)-1,1-dimethyl-2-butynyl ester, hydrochloride, monohydrate
  • Benzeneacetic acid, α-cyclohexyl-α-hydroxy-, 4-(diethylamino)-1,1-dimethyl-2-butyn-1-yl ester, hydrochloride, hydrate (1:1:1)
Sort by
The purity filter is not visible because current products do not have associated purity data for filtering.
Found 1 products.