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阿立哌唑-d8(Butyl-d8)CAS号 : 1089115-04-7 Compound CID : 25144831分子式: C23D8H19Cl2N3O2 分子量: 456.43IUPAC Name: 7-[1,1,2,2,3,3,4,4-octadeuterio-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-oneSMILES: C1CC(=O)NC2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)ClInChIKey: CEUORZQYGODEFX-BQLKVSHCSA-NInChI: InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)/i1D2,2D2,10D2,15D2
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碘化丙锭（PI）CAS号 : 25535-16-4 Compound CID : 104981分子式: C27H34I2N4 分子量: 668.39IUPAC Name: 3-(3,8-diamino-6-phenylphenanthridin-5-ium-5-yl)propyl-diethyl-methylazanium;diiodideSMILES: CC[N+](C)(CC)CCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N.[I-].[I-]InChIKey: XJMOSONTPMZWPB-UHFFFAOYSA-MInChI: InChI=1S/C27H33N4.2HI/c1-4-31(3,5-2)17-9-16-30-26-19-22(29)13-15-24(26)23-14-12-21(28)18-25(23)27(30)20-10-7-6-8-11-20;;/h6-8,10-15,18-19,29H,4-5,9,16-17,28H2,1-3H3;2*1H/q+1;;/p-1
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4,4'-二苯胺基-1,1'-联萘-5,5'-二磺酸二钾盐CAS号 : 65664-81-5 Compound CID : 16213473分子式: C32H22K2N2O6S2 分子量: 672.85IUPAC Name: dipotassium;8-anilino-5-(4-anilino-5-sulfonatonaphthalen-1-yl)naphthalene-1-sulfonateSMILES: C1=CC=C(C=C1)NC2=C3C(=C(C=C2)C4=C5C=CC=C(C5=C(C=C4)NC6=CC=CC=C6)S(=O)(=O)[O-])C=CC=C3S(=O)(=O)[O-].[K+].[K+]InChIKey: VWLWTJHKQHRTNC-UHFFFAOYSA-LInChI: InChI=1S/C32H24N2O6S2.2K/c35-41(36,37)29-15-7-13-25-23(17-19-27(31(25)29)33-21-9-3-1-4-10-21)24-18-20-28(34-22-11-5-2-6-12-22)32-26(24)14-8-16-30(32)42(38,39)40;;/h1-20,33-34H,(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2
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6-叔-丁基-2,3-萘二甲腈CAS号 : 32703-82-5 Compound CID : 613000分子式: C16H14N2 分子量: 234.3IUPAC Name: 6-tert-butylnaphthalene-2,3-dicarbonitrileSMILES: CC(C)(C)C1=CC2=CC(=C(C=C2C=C1)C#N)C#NInChIKey: MKILROQBJOOZKC-UHFFFAOYSA-NInChI: InChI=1S/C16H14N2/c1-16(2,3)15-5-4-11-6-13(9-17)14(10-18)7-12(11)8-15/h4-8H,1-3H3
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褪黑素D4CAS号 : 66521-38-8 Compound CID : 12358981分子式: C13H12D4N2O2 分子量: 236.3IUPAC Name: N-[1,1,2,2-tetradeuterio-2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideSMILES: CC(=O)NCCC1=CNC2=C1C=C(C=C2)OCInChIKey: DRLFMBDRBRZALE-NZLXMSDQSA-NInChI: InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)/i5D2,6D2
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西布特罗-D9CAS号 : 1246819-04-4 Compound CID : 71312591分子式: C13H10D9N3O 分子量: 242.36IUPAC Name: 2-amino-5-[2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]-1-hydroxyethyl]benzonitrileSMILES: CC(C)(C)NCC(C1=CC(=C(C=C1)N)C#N)OInChIKey: YKKQAXQGZIBJFS-GQALSZNTSA-NInChI: InChI=1S/C13H19N3O/c1-13(2,3)16-8-12(17)9-4-5-11(15)10(6-9)7-14/h4-6,12,16-17H,8,15H2,1-3H3/i1D3,2D3,3D3
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班布特罗盐酸盐-d9CAS号 : 1794810-59-5 Compound CID : 71313617分子式: C18H21D9ClN3O5 分子量: 412.96IUPAC Name: [3-(dimethylcarbamoyloxy)-5-[2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]-1-hydroxyethyl]phenyl] N,N-dimethylcarbamate;hydrochlorideSMILES: CC(C)(C)NCC(C1=CC(=CC(=C1)OC(=O)N(C)C)OC(=O)N(C)C)O.ClInChIKey: LBARATORRVNNQM-KYRNGWDOSA-NInChI: InChI=1S/C18H29N3O5.ClH/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7;/h8-10,15,19,22H,11H2,1-7H3;1H/i1D3,2D3,3D3;
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2-花生四烯酸甘油酯-d8CAS号 : 924894-97-3 Compound CID : 5282280分子式: C23H30D8O4 分子量: 386.6SMILES: CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC(CO)CO
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NF023,竞争性P2X 1受体拮抗剂CAS号 : 104869-31-0 Compound CID : 53249227分子式: C35H20N4Na6O21S6·12·5H2O 分子量: 1388.02SMILES: C1=CC(=CC(=C1)NC(=O)NC2=CC=CC(=C2)C(=O)NC3=C4C(=CC(=CC4=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)NC5=C6C(=CC(=CC6=C(C=C5)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.[Na].[Na].[Na].[Na].[Na].[Na]InChIKey: GKOOKWDOKJAVBD-UHFFFAOYSA-NInChI: InChI=1S/C35H26N4O21S6.6Na/c40-33(38-25-7-9-27(63(49,50)51)23-13-21(61(43,44)45)15-29(31(23)25)65(55,56)57)17-3-1-5-19(11-17)36-35(42)37-20-6-2-4-18(12-20)34(41)39-26-8-10-28(64(52,53)54)24-14-22(62(46,47)48)16-30(32(24)26)66(58,59)60;;;;;;/h1-16H,(H,38,40)(H,39,41)(H2,36,37,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60);;;;;;
