小分子和化合物库
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rel-盐酸帕罗西汀-d4CAS号: 1217683-35-6 Compound CID : 76973866分子式: C19H17D4ClFNO3 分子量: 369.85IUPAC Name: (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(2,3,5,6-tetradeuterio-4-fluorophenyl)piperidine;hydrochlorideSMILES: FC(C([2H])=C1[2H])=C([2H])C([2H])=C1[C@H]2[C@H](COC3=CC=C(OCO4)C4=C3)CNCC2.ClInChIKey: GELRVIPPMNMYGS-TYPQLLAASA-NInChI: 1S/C19H20FNO3.ClH/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18;/h1-6,9,14,17,21H,7-8,10-12H2;1H/t14-,17-;/m0./s1/i1D,2D,3D,4D;
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罗苏伐他汀-d3钠盐CAS号: 1279031-70-7 Compound CID : 45359102分子式: C22H24D3FN3O6S・Na 分子量: 506.54IUPAC Name: sodium;(E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methylsulfonyl(trideuteriomethyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoateSMILES: CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C.[Na+]InChIKey: RGEBGDYYHAFODH-SYRJKFITSA-MInChI: See more
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天然辣椒碱分子式: C18H27NO3 分子量: 305.41IUPAC Name: (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamideSMILES: CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OCInChIKey: YKPUWZUDDOIDPM-SOFGYWHQSA-NInChI: 1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+
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潮霉素BCAS号: 31282-04-9分子式: C20H37N3O13 分子量: 527.52IUPAC Name: See moreSMILES: CNC1CC(C(C(C1O)OC2C3C(C(C(O2)CO)O)OC4(O3)C(C(C(C(O4)C(CO)N)O)O)O)O)NInChIKey: GRRNUXAQVGOGFE-XKIAHZFYSA-NInChI: See more
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