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乙酰辅酶 A 锂盐CAS号 : 32140-51-5 Compound CID : 16218870分子式: C23H38N7O17P3S · xLi+ 分子量: 809.57IUPAC Name: trilithium;[(2R,3S,4R,5R)-2-[[[[(3R)-4-[[3-(2-acetylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] hydrogen phosphateSMILES: [Li+].[Li+].[Li+].CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)[O-])OInChIKey: FTRFBNATWBKIQU-JHJDYNLLSA-KInChI: InChI=1S/C23H38N7O17P3S.3Li/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30;;;/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38);;;/q;3*+1/p-3/t13-,16-,17-,18+,22-;;;/m1.../s1
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奥卡西平-D4(主要)CAS号 : 1020719-71-4 Compound CID : 25235656分子式: C15H8D4N2O2 分子量: 256.29IUPAC Name: 1,2,3,4-tetradeuterio-6-oxo-5H-benzo[b][1]benzazepine-11-carboxamideSMILES: C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)NInChIKey: CTRLABGOLIVAIY-DNZPNURCSA-NInChI: InChI=1S/C15H12N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8H,9H2,(H2,16,19)/i1D,3D,5D,7D
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普罗布考-丙酰基-¹³C3CAS号 : 1173019-29-8分子式: ¹³C3C28H48O2S2 分子量: 519.82SMILES: CC(C)(C)c1cc(S[13C]([13CH3])([13CH3])Sc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)CInChIKey: FYPMFJGVHOHGLL-DGVNISHSSA-NInChI: 1S/C31H48O2S2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3/i13+1,14+1,31+1