Ketcher 09101720362D 1 1.00000 0.00000 0 14 14 0 0 0 999 V2000 5.9446 -4.6672 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.8338 -5.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8338 -6.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9877 -6.6444 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0985 -6.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0985 -5.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5977 -7.0506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0968 -6.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 -4.2609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8354 -5.1284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3362 -4.2610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8338 -3.3935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5960 -5.3157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5960 -7.0506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 6 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 5 7 1 0 0 0 8 5 1 0 0 0 2 9 1 0 0 0 2 10 1 0 0 0 9 11 1 0 0 0 9 12 2 0 0 0 8 13 1 0 0 0 8 14 2 0 0 0 M END > CHEBI:138170 > sulfanegen > A member of the class of dithianes that is 1,4-dithiane-2,5-dicarboxylic acid in which the hydrogens at positions 2 and 5 have been replaced by hydroxy groups. Sulfanegen is a prodrug for 3-mercaptopyruvic acid and is an experimental antidote for cyanide poisoning. > 3 > 2,5-dihydroxy-1,4-dithiane-2,5-dicarboxylic acid > C6H8O6S2 > 240.257 > 239.97623 > 0 > S1C(CSC(C1)(O)C(O)=O)(C(O)=O)O > InChI=1S/C6H8O6S2/c7-3(8)5(11)1-13-6(12,2-14-5)4(9)10/h11-12H,1-2H2,(H,7,8)(H,9,10) > GYZMXMSJOZUNEQ-UHFFFAOYSA-N > 80003-64-1 > 21914042 > 80003-64-1 > 20705081; 21740135; 22392971; 23301495; 27308865; 28412453; 7054184 $$$$