小分子和化合物库
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他克莫司一水合物CAS号: 109581-93-3分子式: C44H69NO12 · H2O 分子量: 822.03IUPAC Name: See moreSMILES: CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC.OInChIKey: NWJQLQGQZSIBAF-MLAUYUEBSA-NInChI: See more
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甲磺酸倍他司汀CAS号: 54856-23-4分子式: C8H12N2·2CH4O3S 分子量: 328.4IUPAC Name: methanesulfonic acid;N-methyl-2-pyridin-2-ylethanamineSMILES: CNCCC1=CC=CC=N1.CS(=O)(=O)O.CS(=O)(=O)OInChIKey: ZBJJDYGJCNTNTH-UHFFFAOYSA-NInChI: 1S/C8H12N2.2CH4O3S/c1-9-7-5-8-4-2-3-6-10-8;2*1-5(2,3)4/h2-4,6,9H,5,7H2,1H3;2*1H3,(H,2,3,4)
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(2,4-戊二酮酸-kO,kO')双[2-(1-苯基-1H-苯并咪唑-2-基-kN3)苯基-kC]铱CAS号: 725251-25-2 Compound CID : 725251分子式: C43H33IrN4O2 分子量: 829.96IUPAC Name: 4-bromo-N-[(3-hydroxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamideSMILES: CN1C=C(C(=N1)C(=O)NN=CC2=CC(=CC=C2)O)BrInChIKey: BMYFZHOREUBRQT-UHFFFAOYSA-NInChI: 1S/C12H11BrN4O2/c1-17-7-10(13)11(16-17)12(19)15-14-6-8-3-2-4-9(18)5-8/h2-7,18H,1H3,(H,15,19)
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氮化铌CAS号: 24621-21-4分子式: NbN 分子量: 106.92IUPAC Name: azanylidyneniobiumSMILES: N#[Nb]InChIKey: CFJRGWXELQQLSA-UHFFFAOYSA-NInChI: 1S/N.Nb
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2,4,5,6-四(9-咔唑基)-间苯二腈CAS号: 1416881-52-1 Compound CID : 102198498分子式: C56H32N6 分子量: 788.89IUPAC Name: 2,4,5,6-tetra(carbazol-9-yl)benzene-1,3-dicarbonitrileSMILES: C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=C(C(=C(C(=C4C#N)N5C6=CC=CC=C6C7=CC=CC=C75)N8C9=CC=CC=C9C1=CC=CC=C18)N1C2=CC=CC=C2C2=CC=CC=C21)C#NInChIKey: PRWATGACIORDEL-UHFFFAOYSA-NInChI: See more
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Zoniporide二盐酸盐CAS号: 241799-10-0 Compound CID : 22267855分子式: C17H16N6O.2HCl 分子量: 393.27IUPAC Name: 5-cyclopropyl-N-(diaminomethylidene)-1-quinolin-5-ylpyrazole-4-carboxamide;dihydrochlorideSMILES: C1CC1C2=C(C=NN2C3=CC=CC4=C3C=CC=N4)C(=O)N=C(N)N.Cl.ClInChIKey: ARZNPJAGKWHEHT-UHFFFAOYSA-NInChI: 1S/C17H16N6O.2ClH/c18-17(19)22-16(24)12-9-21-23(15(12)10-6-7-10)14-5-1-4-13-11(14)3-2-8-20-13;;/h1-5,8-10H,6-7H2,(H4,18,19,22,24);2*1H
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