Ketcher 03071809502D 1 1.00000 0.00000 0 36 40 0 1 0 999 V2000 18.1767 -13.9290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1767 -14.9235 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0220 -15.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8674 -14.9235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8674 -13.9290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0220 -13.4317 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 17.1821 -13.9290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1821 -14.9235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2870 -13.4317 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4417 -13.9290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4417 -14.9235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2870 -15.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5963 -13.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7625 -15.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7012 -13.9290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1767 -12.9344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6079 -14.9235 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9553 -13.3322 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1100 -13.8792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.4083 -14.8737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4027 -14.8737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5963 -12.4370 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0220 -16.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8674 -16.9127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1269 -16.9127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8116 -15.6694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.4248 -15.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2206 -14.8952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.8971 -13.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9014 -13.9701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4248 -16.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2775 -16.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1610 -16.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1610 -15.4775 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4850 -11.9288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4850 -10.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 1 6 1 0 0 0 1 7 1 0 0 0 7 8 1 0 0 0 2 8 1 0 0 0 7 9 1 1 0 0 9 10 1 0 0 0 10 11 2 0 0 0 8 12 2 0 0 0 10 13 1 0 0 0 4 14 1 0 0 0 13 15 1 0 0 0 1 16 1 6 0 0 14 17 1 0 0 0 15 18 2 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 2 0 0 0 15 21 1 0 0 0 13 22 2 0 0 0 3 23 1 0 0 0 23 24 1 0 0 0 23 25 2 0 0 0 20 26 1 0 0 0 17 27 2 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 2 0 0 0 17 30 1 0 0 0 27 31 1 0 0 0 31 32 2 0 0 0 32 33 1 0 0 0 33 34 2 0 0 0 34 28 1 0 0 0 22 35 1 0 0 0 35 36 1 0 0 0 M CHG 2 17 1 24 -1 M END > CHEBI:3502 > cefozopran > A fourth-generation cephalosporin antibiotic having imidazo[1,2-b]pyridazin-1-ium-1-ylmethyl and [(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino side groups located at positions 3 and 7 respectively. > 3 > (6R,7R)-7-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(methoxyimino)acetyl]amino}-3-(imidazo[1,2-b]pyridazin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate > 7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-(imidazo[1,2-b]pyridazin-1-ium-1-ylmethyl)-3,4-didehydrocepham-4-carboxylate > cefozopranum; cefozopran; cefozopran; cefozopran > C19H17N9O5S2 > 515.528 > 515.07941 > 0 > [C@]12(N(C(=C(CS1)C[N+]3=C4N(C=C3)N=CC=C4)C([O-])=O)C([C@H]2NC(=O)/C(/C5=NSC(=N5)N)=N\OC)=O)[H] > InChI=1S/C19H17N9O5S2/c1-33-24-11(14-23-19(20)35-25-14)15(29)22-12-16(30)28-13(18(31)32)9(8-34-17(12)28)7-26-5-6-27-10(26)3-2-4-21-27/h2-6,12,17H,7-8H2,1H3,(H3-,20,22,23,25,29,31,32)/b24-11-/t12-,17-/m1/s1 > QDUIJCOKQCCXQY-WHJQOFBOSA-N > 113359-04-9 > D01052 > Cefozopran > 22888513; 25644122; 29017833 $$$$