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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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(4-异丁基苯基)(对甲苯基)碘鎓六氟磷酸盐 (约70%于碳酸丙烯酯中)CAS号: 344562-80-7 Compound CID : 22019765分子式: C17H20F6IP 分子量: 496.21IUPAC Name: (4-methylphenyl)-[4-(2-methylpropyl)phenyl]iodanium;hexafluorophosphateSMILES: CC1=CC=C(C=C1)[I+]C2=CC=C(C=C2)CC(C)C.F[P-](F)(F)(F)(F)FInChIKey: YNDYCGZWQZEBCS-UHFFFAOYSA-NInChI: 1S/C17H20I.F6P/c1-13(2)12-15-6-10-17(11-7-15)18-16-8-4-14(3)5-9-16;1-7(2,3,4,5)6/h4-11,13H,12H2,1-3H3;/q+1;-1
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六氟丙烯二聚体分子式: C6F12 分子量: 300.05IUPAC Name: (E)-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pent-2-eneSMILES: C(=C(C(F)(F)F)F)(C(C(F)(F)F)(C(F)(F)F)F)FInChIKey: SAPOZTRFWJZUFT-OWOJBTEDSA-NInChI: 1S/C6F12/c7-1(2(8)4(10,11)12)3(9,5(13,14)15)6(16,17)18/b2-1+
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檀香醇CAS号: 11031-45-1 Compound CID : 12315259分子式: C15H24O 分子量: 220.35IUPAC Name: (E)-2-methyl-5-[(1S,2S,4R)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-en-1-olSMILES: CC(=CCCC1(C2CCC(C2)C1=C)C)COInChIKey: OJYKYCDSGQGTRJ-INLOORNJSA-NInChI: 1S/C15H24O/c1-11(10-16)5-4-8-15(3)12(2)13-6-7-14(15)9-13/h5,13-14,16H,2,4,6-10H2,1,3H3/b11-5+/t13-,14+,15-/m1/s1
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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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ZK 93426 盐酸盐CAS号: 1216792-30-1 Compound CID : 56972167分子式: C18H20N2O3.HCl 分子量: 348.82IUPAC Name: ethyl 4-methyl-5-propan-2-yloxy-9H-pyrido[3,4-b]indole-3-carboxylate;hydrochlorideSMILES: CCOC(=O)C1=NC=C2C(=C1C)C3=C(N2)C=CC=C3OC(C)C.ClInChIKey: RNQJDOYVHCISJU-UHFFFAOYSA-NInChI: 1S/C18H20N2O3.ClH/c1-5-22-18(21)17-11(4)15-13(9-19-17)20-12-7-6-8-14(16(12)15)23-10(2)3;/h6-10,20H,5H2,1-4H3;1H
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ZK 164015,雌激素受体拮抗剂CAS号: 177583-70-9 Compound CID : 9806489分子式: C30H43NO4S 分子量: 513.73IUPAC Name: 2-(4-hydroxyphenyl)-3-methyl-1-(10-pentylsulfonyldecyl)indol-5-olSMILES: CCCCCS(=O)(=O)CCCCCCCCCCN1C2=C(C=C(C=C2)O)C(=C1C3=CC=C(C=C3)O)CInChIKey: LYJSJVYJLZOMCD-UHFFFAOYSA-NInChI: 1S/C30H43NO4S/c1-3-4-12-21-36(34,35)22-13-10-8-6-5-7-9-11-20-31-29-19-18-27(33)23-28(29)24(2)30(31)25-14-16-26(32)17-15-25/h14-19,23,32-33H,3-13,20-22H2,1-2H3
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YM 298198 盐酸盐CAS号: 1216398-09-2 Compound CID : 45073464分子式: C18H22N4OS•HCl 分子量: 378.92IUPAC Name: 7-amino-N-cyclohexyl-N,1-dimethyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide;hydrochlorideSMILES: CC1=C(SC2=NC3=C(N12)C=C(C=C3)N)C(=O)N(C)C4CCCCC4.ClInChIKey: WYTJVUVCSUWZTH-UHFFFAOYSA-NInChI: 1S/C18H22N4OS.ClH/c1-11-16(17(23)21(2)13-6-4-3-5-7-13)24-18-20-14-9-8-12(19)10-15(14)22(11)18;/h8-10,13H,3-7,19H2,1-2H3;1H
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