CAS 383891-39-2

(3S,4S,5S,6S)-6-[3-[2-(dimethylaminomethyl)-1-hydroxy-cyclohexyl]phenoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid

Description:

The chemical substance with the name "(3S,4S,5S,6S)-6-[3-[2-(dimethylaminomethyl)-1-hydroxy-cyclohexyl]phenoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid" and CAS number "383891-39-2" is a complex organic compound characterized by its multi-functional groups and stereochemistry. It features a tetrahydropyran ring, which is a six-membered cyclic ether, and is substituted with multiple hydroxyl groups, contributing to its hydrophilicity and potential biological activity. The presence of a dimethylaminomethyl group suggests possible interactions with biological systems, enhancing its solubility and reactivity. The phenoxy group indicates potential for aromatic interactions, which may play a role in its pharmacological properties. The specific stereochemistry (3S, 4S, 5S, 6S) implies that the compound has defined spatial arrangements that can significantly influence its biological activity and interactions with receptors or enzymes. Overall, this compound may exhibit interesting pharmacological properties, making it a candidate for further research in medicinal chemistry and drug development.

Formula: C₂₁H₃₁NO₈

InChI: InChI=1/C21H31NO8/c1-22(2)11-13-6-3-4-9-21(13,28)12-7-5-8-14(10-12)29-20-17(25)15(23)16(24)18(30-20)19(26)27/h5,7-8,10,13,15-18,20,23-25,28H,3-4,6,9,11H2,1-2H3,(H,26,27)/t13?,15-,16-,17-,18?,20+,21?/m0/s1

Synonyms:

• O-Desmethyltramadol-β-D-glucuronide
• β-D-Glucopyranosiduronic acid, 3-[2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]phenyl
• O-DesMethyl TraMadol β-D-Glucuronide
• O-Desmethyl Tramadol β-D-Glucuronide
• (2S,3S,4S,5R,6S)-6-[3-[2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
• Desmethyl tramadol O-b-D-glucuronide
• O-Desmethyl Tramadol Glucuronide (Mixture of Diastereomers)
• 3-[2-[(DiMethylaMino)Methyl]-1-hydroxycyclohexyl]phenyl β-D-Glucopyranosiduronic Acid
• (Mixture of DiastereoMers)

O-Desmethyl Tramadol β-D-Glucuronide (Mixture of Diastereomers)

CAS: 383891-39-2

Stability Hygroscopic
Applications A metabolite of Tramadol.
References Raffa, R., et al.: J. Pharmacol. Exp. Ther., 267, 331 (1993), Pospisilova, M., et al.: J. Pharm. Biomed. Anal., 18, 777 (1998), Scott, L., et al.: Drugs, 60, 139 (2000), Wu, W., et al.: Xenobiotica, 32, 411 (2002),

Formula: C₂₁H₃₁NO₈

Color and Shape: White To Beige

Molecular weight: 425.47

Ref: TR-D294735