CAS 211566-75-5: (3S,4aR,6S,8aR)-6-[(4-Carboxyphenyl)methyl]decahydro-3-isoquinolinecarboxylic acid

Description:The chemical substance known as (3S,4aR,6S,8aR)-6-[(4-Carboxyphenyl)methyl]decahydro-3-isoquinolinecarboxylic acid, with the CAS number 211566-75-5, is a complex organic compound characterized by its multi-ring structure and specific stereochemistry. It features a decahydroisoquinoline backbone, which contributes to its potential biological activity. The presence of a carboxyphenylmethyl group indicates that it has functional groups that can participate in various chemical reactions, such as hydrogen bonding and ionic interactions, making it potentially useful in medicinal chemistry. The stereochemical configuration (3S, 4aR, 6S, 8aR) suggests that the compound has specific spatial arrangements that may influence its interaction with biological targets, such as receptors or enzymes. This compound may exhibit properties relevant to pharmacology, including potential analgesic or anti-inflammatory effects, although specific biological activities would require empirical investigation. Overall, its unique structure and functional groups make it a candidate for further research in drug development and related fields.

Formula:C₁₈H₂₃NO₄

InChI:InChI=1S/C18H23NO4/c20-17(21)13-4-1-11(2-5-13)7-12-3-6-14-10-19-16(18(22)23)9-15(14)8-12/h1-2,4-5,12,14-16,19H,3,6-10H2,(H,20,21)(H,22,23)/t12-,14+,15-,16+/m1/s1

InChI key:InChIKey=YVMADKYPKNLVGU-BVUBDWEXSA-N

SMILES:O=C(O)C1=CC=C(C=C1)CC2CCC3CNC(C(=O)O)CC3C2

Synonyms:
LY 382884
(3S,4aR,6S,8aR)-6-[(4-Carboxyphenyl)methyl]decahydro-3-isoquinolinecarboxylic acid
3-Isoquinolinecarboxylic acid, 6-[(4-carboxyphenyl)methyl]decahydro-, (3S,4aR,6S,8aR)-