4-Chloro-2-methyl-5-(methylsulfonyl)-benzoic Acid

CAS: 176309-00-5

Ref. TR-C373685

Informação sobre produto

• Nome: 4-Chloro-2-methyl-5-(methylsulfonyl)-benzoic Acid
• Sinónimos: [(3R,6S)-5-acetamido-3-[(2S,5R)-3-acetamido-5-[(2S,5R)-3-acetamido-5-[(2S,5R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-4-acetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-4-acetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-4-acetyloxy-6-(4-methyl-2-oxochromen-7-yl)oxyoxan-2-yl]methyl acetate, 4-Chloro-2-methyl-5-(methylsulfonyl)benzoic acid, 2-Methyl-4-chloro-5-methyl-sulfonylbenzoic acid, Benzoic acid, 4-chloro-2-methyl-5-(methylsulfonyl)-

Descrição

Applications 4-Chloro-2-methyl-5-(methylsulfonyl)-benzoic acid is an intermediate in the synthesis of Rimeporide Hydrochloride (R517200) which is used for the treatment of diseases associated with insulin resistance and beta-cell dysfunction.

• Marca: TRC

Propriedades químicas

• Peso molecular: 1367.269
• Fórmula: C₆₀H₇₈N₄O₃₂
• Cor/forma: Neat
• InChI: InChI=1S/C60H78N4O32/c1-23-17-44(78)89-39-18-37(15-16-38(23)39)88-57-45(61-24(2)65)54(85-34(12)75)50(41(90-57)20-80-29(7)70)94-59-47(63-26(4)67)56(87-36(14)77)52(43(92-59)22-82-31(9)72)96-60-48(64-27(5)68)55(86-35(13)76)51(42(93-60)21-81-30(8)71)95-58-46(62-25(3)66)53(84-33(11)74)49(83-32(10)73)40(91-58)19-79-28(6)69/h15-18,40-43,45-60H,19-22H2,1-14H3,(H,61,65)(H,62,66)(H,63,67)(H,64,68)/t40?,41?,42?,43?,45?,46?,47?,48?,49-,50-,51-,52-,53?,54?,55?,56?,57+,58-,59-,60-/m0/s1
• Chave InChI: InChIKey=ZRRJAKDAXZFDFL-SYDFZOAASA-N
• SMILES: CC(=O)NC1C(OC(C)=O)[C@@H](O[C@@H]2OC(COC(C)=O)[C@H](O[C@@H]3OC(COC(C)=O)[C@H](O[C@@H]4OC(COC(C)=O)[C@H](OC(C)=O)C(OC(C)=O)C4NC(C)=O)C(OC(C)=O)C3NC(C)=O)C(OC(C)=O)C2NC(C)=O)C(COC(C)=O)O[C@H]1Oc1ccc2c(C)cc(=O)oc2c1