Marvin 04161011192D 50 52 0 0 1 0 999 V2000 7.6468 -5.3967 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8139 -5.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6468 -4.5721 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8139 -4.5721 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1398 -6.6894 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4892 -7.1825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3636 -5.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7503 -7.9450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5376 -7.9450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7986 -7.1742 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3636 -4.1495 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.0763 -5.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3636 -6.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8179 -6.6728 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.1398 -5.8690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0763 -4.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8179 -5.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0721 -7.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8483 -5.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8483 -4.6384 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6344 -7.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5444 -4.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1398 -4.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6468 -3.7309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0994 -4.1591 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3849 -4.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3849 -5.3967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8139 -3.7471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6705 -4.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9560 -4.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1924 -4.2591 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6593 -4.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0933 -5.5903 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8947 -5.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8366 -4.8273 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4714 -7.0636 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4573 -6.4243 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.6358 -7.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9221 -8.3011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3510 -8.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2076 -7.8886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4931 -8.3011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2076 -7.0636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7787 -7.8886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0642 -6.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3497 -7.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3497 -7.8886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0642 -8.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7787 -7.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2305 -5.9801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 6 1 0 0 0 0 6 14 1 0 0 0 0 7 1 1 0 0 0 0 8 6 2 0 0 0 0 9 8 1 0 0 0 0 10 5 1 0 0 0 0 11 3 1 0 0 0 0 12 7 2 0 0 0 0 13 7 1 0 0 0 0 14 17 1 0 0 0 0 15 5 1 0 0 0 0 16 12 1 0 0 0 0 17 12 1 0 0 0 0 18 13 2 0 0 0 0 19 15 1 0 0 0 0 20 19 1 0 0 0 0 21 13 1 0 0 0 0 22 20 1 0 0 0 0 23 20 1 0 0 0 0 3 24 1 6 0 0 0 16 11 1 0 0 0 0 10 9 2 0 0 0 0 2 4 1 0 0 0 0 25 4 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 4 28 1 6 0 0 0 26 29 1 0 0 0 0 29 30 1 0 0 0 0 34 30 2 0 0 0 0 31 30 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 32 35 1 0 0 0 0 21 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 39 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 2 0 0 0 0 42 44 1 0 0 0 0 48 44 1 0 0 0 0 44 49 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 45 49 1 0 0 0 0 2 50 2 0 0 0 0 M END > CHEBI:31373 > cefotiam hexetil dihydrochloride > The dihydrochloride salt of cefotiam 1-(cyclohexyloxycarbonyloxy)ethyl ester. It is used as a prodrug for cefotiam. > 3 > cefotiam hexetil hydrochloride; cefotiam hexetil HCl; cefotiam 1-(cyclohexyloxycarbonyloxy)ethyl ester dihydrochloride > 1-{[(cyclohexyloxy)carbonyl]oxy}ethyl 7beta-(2-amino-1,3-thiazol-4-yl)acetamido-3-[({1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl}sulfanyl)methyl]-3,4-didehydrocepham-4-carboxylate dihydrochloride; 1-{[(cyclohexyloxy)carbonyl]oxy}ethyl (6R,7R)-7-{[(2-amino-1,3-thiazol-4-yl)acetyl]amino}-3-[({1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl}sulfanyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrochloride > C27H39Cl2N9O7S3 > 768.75600 > 767.15116 > 0 > Cl.Cl.[H][C@@]1(NC(=O)Cc2csc(N)n2)C(=O)N2C(C(=O)OC(C)OC(=O)OC3CCCCC3)=C(CSc3nnnn3CCN(C)C)CS[C@]12[H] > InChI=1S/C27H37N9O7S3.2ClH/c1-15(42-27(40)43-18-7-5-4-6-8-18)41-24(39)21-16(13-46-26-31-32-33-35(26)10-9-34(2)3)12-44-23-20(22(38)36(21)23)30-19(37)11-17-14-45-25(28)29-17;;/h14-15,18,20,23H,4-13H2,1-3H3,(H2,28,29)(H,30,37);2*1H/t15?,20-,23-;;/m1../s1 > FFSANQNELHESQJ-LWBICVDYSA-N > 95789-30-3 > 95789-30-3 > D01415 $$$$