Ketcher 01172411292D 1 1.00000 0.00000 0 28 30 0 1 0 999 V2000 15.4625 -21.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3285 -20.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4625 -22.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1946 -21.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3285 -22.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1945 -22.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0606 -20.5392 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 18.0606 -22.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9266 -22.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7925 -22.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9267 -21.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6587 -22.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7927 -20.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6586 -21.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5247 -20.5392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5965 -22.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5965 -23.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7304 -22.0392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7304 -24.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8644 -22.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8644 -23.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9984 -22.0392 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.1323 -22.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9984 -24.0392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7304 -25.0392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4625 -24.0391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3907 -21.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2568 -20.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 2 4 2 0 0 0 3 5 1 0 0 0 4 6 1 0 0 0 5 6 2 0 0 0 4 7 1 0 0 0 6 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 9 11 2 0 0 0 10 12 2 0 0 0 11 13 1 0 0 0 12 14 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 16 3 1 1 0 0 16 17 1 0 0 0 16 18 1 0 0 0 17 19 1 0 0 0 18 20 1 0 0 0 19 21 1 0 0 0 20 21 1 0 0 0 20 22 1 1 0 0 22 23 1 0 0 0 21 24 1 6 0 0 19 25 1 1 0 0 17 26 1 6 0 0 15 27 1 0 0 0 27 28 1 0 0 0 M END > CHEBI:229226 > sotagliflozin > An S-glycosyl compound that is 1-thio-β-L-xylopyranose in which the anomeric hydroxy group is replaced by a 4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl group and the thiol is replaced by a methylsulfanediyl group. It is an inhibitor of SGLT1 and SGLT2 that is approved to reduce the risk of cardiovascular death, hospitalization for heart failure, and urgent heart failure visit in adults with heart failure or type 2 diabetes mellitus, chronic kidney disease, and other cardiovascular risk. > 3 > LX4211; LX-4211; LX 4211; LP-802034; (2S,3R,4R,5S,6R)-2-{4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl}-6-(methylsulfanyl)oxane-3,4,5-triol; (2S,3R,4R,5S,6R)-2-[4-chloro-3-(4-ethoxybenzyl)phenyl]-6-(methylsulfanyl)tetrahydro-2H-pyran-3,4,5-triol; (2S,3R,4R,5S,6R)-2-(4-chloro-3-(4-ethoxybenzyl)phenyl)- 6-(methylthio)tetrahydro-2H-pyran-3,4,5-triol > methyl (5S)-5-[4-chloro-3-(4-ethoxybenzyl)phenyl]-1-thio-beta-L-xylopyranoside > sotagliflozinum; sotagliflozine; sotagliflozina; sotagliflozin > Zynquista; Inpefa > C21H25ClO5S > 424.940 > 424.11112 > 0 > CCOC1=CC=C(CC2=CC(=CC=C2Cl)[C@@H]2O[C@H](SC)[C@@H](O)[C@H](O)[C@H]2O)C=C1 > InChI=1S/C21H25ClO5S/c1-3-26-15-7-4-12(5-8-15)10-14-11-13(6-9-16(14)22)20-18(24)17(23)19(25)21(27-20)28-2/h4-9,11,17-21,23-25H,3,10H2,1-2H3/t17-,18-,19+,20+,21-/m1/s1 > QKDRXGFQVGOQKS-CRSSMBPESA-N > 1018899-04-1 > DB12713 > D10669 > LFL > Sotagliflozin > 22739142; 33108240; 33235374; 33704413; 33764842; 33852786; 33852787; 33852788; 34181127; 34338408; 34545668; 36330901; 36370667; 36718512; 36782093; 36872068; 37045523; 37172207; 37258583; 37318685; 37402421; 37427762; 37460142; 37523069; 37558385; 37586658; 37868384; 37914514; 37914515; 38014844; 38031239; 38044937; 38058609; 38141092; 38225341; 38527859; 38578622 $$$$