CAS 81562-78-9

4a(2H)-Isoquinolinol, octahydro-, hydrochloride (1:1), (4aR,8aR)-rel-

Description:

4a(2H)-Isoquinolinol, octahydro-, hydrochloride (1:1), (4aR,8aR)-rel- is a chemical compound characterized by its complex bicyclic structure, which includes a saturated isoquinoline framework. This compound is typically encountered as a hydrochloride salt, indicating that it is often found in a protonated form, which enhances its solubility in water and facilitates its use in various applications, particularly in pharmaceutical contexts. The stereochemistry of the compound is specified by the (4aR,8aR)-rel- notation, indicating the specific three-dimensional arrangement of atoms around the chiral centers, which can significantly influence its biological activity and interactions. As a derivative of isoquinoline, it may exhibit properties relevant to medicinal chemistry, including potential effects on neurotransmitter systems. The compound's CAS number, 81562-78-9, serves as a unique identifier, allowing for precise referencing in scientific literature and databases. Overall, this substance is of interest in research and development, particularly in the fields of organic synthesis and pharmacology.

Formula: C₉H₁₇NO·ClH

InChI: InChI=1/C9H17NO.ClH/c11-9-4-2-1-3-8(9)7-10-6-5-9;/h8,10-11H,1-7H2;1H/t8-,9-;/s2

InChI key: InChIKey=YPFAFIHBCMTKFM-IFTUBXIWNA-N

SMILES: O[C@@]12[C@@](CCCC1)(CNCC2)[H].Cl

Synonyms:

• 4a(2H)-Isoquinolinol, octahydro-, hydrochloride, cis-
• 4a(2H)-Isoquinolinol, octahydro-, hydrochloride (1:1), (4aR,8aR)-rel-
• 4a(2H)-Isoquinolinol, octahydro-, hydrochloride, cis-(±)-