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CAS 2008714-58-5

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Carbamic acid, N-[(3aR,4S,7aS)-octahydro-1H-isoindol-4-yl]-, 1,1-dimethylethyl ester, hydrochloride (1:1)

Description:
Carbamic acid, N-[(3aR,4S,7aS)-octahydro-1H-isoindol-4-yl]-, 1,1-dimethylethyl ester, hydrochloride (1:1) is a chemical compound characterized by its complex structure, which includes a carbamic acid moiety and an isoindole derivative. The presence of the octahydro-1H-isoindole structure contributes to its potential biological activity, as this bicyclic system is often found in various natural products and pharmaceuticals. The compound is a hydrochloride salt, indicating that it is likely soluble in water and may exhibit different properties compared to its free base form. The ester functionality suggests that it may undergo hydrolysis under certain conditions, releasing the corresponding carbamic acid and alcohol. This compound may be of interest in medicinal chemistry due to its potential interactions with biological targets, although specific pharmacological data would be necessary to elucidate its therapeutic applications. As with many chemical substances, safety data and handling precautions should be considered, particularly due to the presence of the hydrochloride salt.
Formula:C13H24N2O2·ClH
InChI:InChI=1S/C13H24N2O2.ClH/c1-13(2,3)17-12(16)15-11-6-4-5-9-7-14-8-10(9)11;/h9-11,14H,4-8H2,1-3H3,(H,15,16);1H/t9-,10+,11+;/m1./s1
InChI key:InChIKey=ZQBDQOJMJIPKCR-FHGSKDHASA-N
SMILES:N(C(OC(C)(C)C)=O)[C@@H]1[C@@]2([C@@](CNC2)(CCC1)[H])[H].Cl
Synonyms:
  • Carbamic acid, N-[(3aR,4S,7aS)-octahydro-1H-isoindol-4-yl]-, 1,1-dimethylethyl ester, hydrochloride (1:1)
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