Ketcher 10142110532D 1 1.00000 0.00000 0 36 38 0 1 0 999 V2000 11.4574 -6.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4574 -7.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3085 -6.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6021 -6.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3169 -8.0425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6104 -8.0425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3085 -5.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1682 -6.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6021 -5.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7468 -6.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3212 -9.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6104 -9.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4574 -4.5877 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1682 -4.5877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0235 -6.0688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1682 -7.5501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7468 -4.5877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8871 -6.0688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7468 -7.5501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4658 -9.5237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1806 -9.5237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8788 -6.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0318 -6.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2331 -8.9163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1803 -10.7388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7384 -6.0648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5894 -6.5612 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.4449 -6.0648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5936 -7.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3002 -6.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3002 -7.5459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1597 -6.0648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1597 -8.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0150 -6.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0150 -7.5459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3140 -7.0553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 2 0 0 0 3 7 2 0 0 0 3 8 1 0 0 0 4 9 2 0 0 0 4 10 1 0 0 0 5 11 2 0 0 0 6 12 1 0 0 0 7 13 1 0 0 0 7 14 1 0 0 0 8 15 1 0 0 0 8 16 2 0 0 0 9 17 1 0 0 0 10 18 1 0 0 0 10 19 2 0 0 0 11 20 1 0 0 0 11 21 1 0 0 0 15 22 1 0 0 0 18 23 1 0 0 0 21 24 2 0 0 0 21 25 1 0 0 0 22 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 27 29 1 0 0 0 28 30 1 0 0 0 30 31 2 0 0 0 30 32 1 0 0 0 31 33 1 0 0 0 32 34 2 0 0 0 33 35 2 0 0 0 9 13 1 0 0 0 12 20 2 0 0 0 34 35 1 0 0 0 1 36 1 6 0 0 M CHG 2 21 1 25 -1 M END > CHEBI:135777 > (S)-nicardipine > The S-enantiomer of nicardipine. > 3 > S-(+)-nicardipine; (S)-YC-93 free base; (+)-nicardipine > 2-[benzyl(methyl)amino]ethyl methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate > C26H29N3O6 > 479.533 > 479.20564 > 0 > [H][C@]1(C2=CC=CC(=C2)[N+]([O-])=O)C(C(=O)OC)=C(C)NC(C)=C1C(=O)OCCN(C)CC1=CC=CC=C1 > InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3/t24-/m0/s1 > ZBBHBTPTTSWHBA-DEOSSOPVSA-N > 76093-36-2 > 76093-36-2 > 10204680; 15832820; 3023614; 3350056; 7503807; 8641321; 9367206 $$$$