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CAS 76960-93-5

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(3R,4R,5R,6R)-6-[[8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid

Description:
The chemical substance with the name "(3R,4R,5R,6R)-6-[[8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid" and CAS number "76960-93-5" is a complex organic compound characterized by its multi-ring structure and various functional groups. It features a tetrahydropyran ring with multiple hydroxyl groups, indicating potential for strong hydrogen bonding and solubility in polar solvents. The presence of a triazolobenzodiazepine moiety suggests pharmacological activity, possibly as a central nervous system agent, due to the known effects of benzodiazepines. The chloro-substituents on the phenyl ring may enhance lipophilicity and influence the compound's biological interactions. This compound's stereochemistry, denoted by the (3R,4R,5R,6R) configuration, indicates specific spatial arrangements that can significantly affect its reactivity and biological activity. Overall, this substance is likely to exhibit unique properties due to its intricate structure and functional groups, making it of interest in medicinal chemistry and pharmacology.
Formula:C23H20Cl2N4O7
InChI:InChI=1/C23H20Cl2N4O7/c1-9-27-28-20-21(36-23-18(32)16(30)17(31)19(35-23)22(33)34)26-15(11-4-2-3-5-13(11)25)12-8-10(24)6-7-14(12)29(9)20/h2-8,16-19,21,23,30-32H,1H3,(H,33,34)/t16-,17-,18-,19?,21?,23-/m1/s1
SMILES:Cc1nnc2C(N=C(c3ccccc3Cl)c3cc(ccc3n12)Cl)O[C@@H]1[C@@H]([C@@H]([C@H](C(C(=O)O)O1)O)O)O
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