Ketcher 11152117252D 1 1.00000 0.00000 0 34 36 0 0 0 999 V2000 2.9489 -5.3132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9489 -6.3132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0828 -4.8132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0828 -6.8132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2168 -5.3132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2168 -6.3132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3508 -4.8132 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.8149 -6.8133 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8149 -4.8132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6809 -5.3132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5470 -4.8132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4130 -5.3132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4130 -6.3132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2790 -4.8132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8149 -3.8132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8149 -7.8132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9489 -8.3132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6809 -8.3132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4130 -8.3132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4130 -9.3132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5470 -7.8132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5470 -9.8132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6809 -9.3132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8149 -9.8132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2790 -9.8132 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1451 -9.3132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0111 -9.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7432 -9.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7432 -10.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8771 -9.3133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8771 -11.3133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0111 -10.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1451 -8.3132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8771 -8.3133 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 5 7 1 0 0 0 2 8 1 0 0 0 1 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 12 14 1 0 0 0 9 15 2 0 0 0 8 16 1 0 0 0 16 17 2 0 0 0 16 18 1 0 0 0 19 20 1 0 0 0 19 21 2 0 0 0 20 22 2 0 0 0 21 18 1 0 0 0 22 23 1 0 0 0 18 23 2 0 0 0 23 24 1 0 0 0 20 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 28 29 1 0 0 0 28 30 2 0 0 0 29 31 2 0 0 0 30 27 1 0 0 0 31 32 1 0 0 0 27 32 2 0 0 0 26 33 2 0 0 0 30 34 1 0 0 0 M END > CHEBI:183655 > DM-4103 > A 4-oxo monocarboxylic acid that is 4-oxobutanoic acid substituted at position 4 with a 5-chloro-2-[2-methyl-4-(2-methylbenzamido)benzamido]phenyl group. An oxobutyric acid metabolite of the vasopressin V2-receptor antagonist tolvaptan. > 3 > 4-{5-chloro-2-[2-methyl-4-(2-methylbenzamido)benzamido]phenyl}-4-oxobutanoic acid > C26H23ClN2O5 > 478.930 > 478.12955 > 0 > CC1=CC=CC=C1C(=O)NC1=CC(C)=C(C=C1)C(=O)NC1=CC=C(Cl)C=C1C(=O)CCC(O)=O > InChI=1S/C26H23ClN2O5/c1-15-5-3-4-6-19(15)25(33)28-18-8-9-20(16(2)13-18)26(34)29-22-10-7-17(27)14-21(22)23(30)11-12-24(31)32/h3-10,13-14H,11-12H2,1-2H3,(H,28,33)(H,29,34)(H,31,32) > PRTSBHBGYFDAAS-UHFFFAOYSA-N > 33078835 $$$$