Marvin 11151217082D 38 43 0 0 1 0 999 V2000 19.8900 -10.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6928 -9.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5624 -10.6614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5623 -11.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7594 -12.5900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8900 -11.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2890 -4.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6190 -4.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2839 -5.3414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6190 -6.5386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2890 -6.5386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6239 -5.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0179 -7.7354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0204 -8.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.8900 -7.8020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6264 -8.1344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2814 -8.1344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8874 -5.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0254 -6.5386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9489 -6.4720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0204 -9.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9914 -12.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1245 -11.8788 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.0996 -10.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2328 -9.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4260 -10.5434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.3942 -11.8894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2613 -12.5857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5593 -9.8473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6821 -8.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0024 -8.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6985 -9.3914 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 26.7741 -10.4275 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.7595 -7.5288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1569 -6.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4773 -6.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3998 -6.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2094 -13.6525 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 7 12 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 11 15 1 0 0 0 0 15 16 2 0 0 0 0 13 17 2 0 0 0 0 12 18 1 1 0 0 0 9 18 1 1 0 0 0 11 19 1 6 0 0 0 10 20 1 6 0 0 0 10 13 1 0 0 0 0 14 21 1 0 0 0 0 1 21 1 1 0 0 0 6 22 1 6 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 23 28 1 0 0 0 0 26 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 29 33 2 0 0 0 0 30 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 31 37 2 0 0 0 0 M END > CHEBI:70732 > lurasidone hydrochloride > A hydrochloride obtained by reaction of lurasidone with one equivalent of hydrochloric acid. An atypical antipsychotic agent used for the treatment of schizophrenia. > 3 > SM 13496; lurasidone monohydrochloride; Lurasidone HCl; 4-(1,2-benzothiazol-3-yl)-1-{[(1R,2R)-2-{[(3aR,4S,7R,7aS)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]methyl}cyclohexyl]methyl}piperazin-1-ium chloride > (3aR,4S,7R,7aS)-2-{[(1R,2R)-2-{[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl}cyclohexyl]methyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione hydrochloride > Latuda > C28H37ClN4O2S > 529.13700 > 528.23258 > 0 > Cl.[H][C@@]12[C@H]3CC[C@H](C3)[C@]1([H])C(=O)N(C[C@@H]1CCCC[C@H]1CN1CCN(CC1)c1nsc3ccccc13)C2=O > InChI=1S/C28H36N4O2S.ClH/c33-27-24-18-9-10-19(15-18)25(24)28(34)32(27)17-21-6-2-1-5-20(21)16-30-11-13-31(14-12-30)26-22-7-3-4-8-23(22)35-29-26;/h3-4,7-8,18-21,24-25H,1-2,5-6,9-17H2;1H/t18-,19+,20-,21-,24+,25-;/m0./s1 > NEKCRUIRPWNMLK-SCIYSFAVSA-N > 367514-88-3 > 14540570 > 367514-88-3 > D04820 > Lurasidone_hydrochloride > 21372761; 21446639; 21555300; 21935296; 22072817; 22545643; 22778856; 22828971 $$$$