小分子和化合物库
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乌头原碱CAS号: 509-20-6分子式: C25H41NO9 分子量: 499.59IUPAC Name: (1S,2R,3R,4R,5R,6S,7S,8R,9R,13R,14R,16S,17S,18R)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,5,7,8,14-pentolSMILES: CCN1CC2(C(CC(C34C2C(C(C31)C5(C6C4CC(C6O)(C(C5O)OC)O)O)OC)OC)O)COCInChIKey: SQMGCPHFHQGPIF-JIOYIOPFSA-NInChI: See more
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安吖啶CAS号: 51264-14-3分子式: C21H19N3O3S 分子量: 393.46IUPAC Name: N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamideSMILES: COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC=CC3=NC4=CC=CC=C42InChIKey: XCPGHVQEEXUHNC-UHFFFAOYSA-NInChI: 1S/C21H19N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13,24H,1-2H3,(H,22,23)
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Arterolane,一种抗疟疾剂CAS号: 664338-39-0分子式: C22H36N2O4 分子量: 392.53SMILES: CC(C)(CNC(=O)CC1CCC2(CC1)OC3(C4CC5CC(C4)CC3C5)OO2)NInChIKey: VXYZBLXGCYNIHP-UHFFFAOYSA-NInChI: 1S/C22H36N2O4/c1-20(2,23)13-24-19(25)12-14-3-5-21(6-4-14)26-22(28-27-21)17-8-15-7-16(10-17)11-18(22)9-15/h14-18H,3-13,23H2,1-2H3,(H,24,25)
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2,6-双[4-二苯胺基苯基]-9,10-蒽醌CAS号: 1640978-33-1分子式: C50H34N2O2 分子量: 694.82IUPAC Name: 2,6-bis[4-(N-phenylanilino)phenyl]anthracene-9,10-dioneSMILES: C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC5=C(C=C4)C(=O)C6=C(C5=O)C=CC(=C6)C7=CC=C(C=C7)N(C8=CC=CC=C8)C9=CC=CC=C9InChIKey: NFOXDINRRDSYIP-UHFFFAOYSA-NInChI: See more
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9-(4-氯苯基硫代磷酰氧亚甲基)-10-甲基二氢吖啶二钠盐CAS号: 193884-53-6分子式: C21H15ClNO4PSNa2 分子量: 489.817IUPAC Name: disodium;[(4-chlorophenyl)sulfanyl-(10-methylacridin-9-ylidene)methyl] phosphateSMILES: CN1C2=CC=CC=C2C(=C(OP(=O)([O-])[O-])SC3=CC=C(C=C3)Cl)C4=CC=CC=C41.[Na+].[Na+]InChIKey: NDPRDNBCONYNMF-UHFFFAOYSA-LInChI: 1S/C21H17ClNO4PS.2Na/c1-23-18-8-4-2-6-16(18)20(17-7-3-5-9-19(17)23)21(27-28(24,25)26)29-15-12-10-14(22)11-13-15;;/h2-13H,1H3,(H2,24,25,26);;/q;2*+1/p-2
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9,10-双(6-苯基吡啶-3-基)蒽CAS号: 1257879-34-7分子式: C36H24N2 分子量: 484.6IUPAC Name: 2-phenyl-5-[10-(6-phenylpyridin-3-yl)anthracen-9-yl]pyridineSMILES: C1=CC=C(C=C1)C2=NC=C(C=C2)C3=C4C=CC=CC4=C(C5=CC=CC=C53)C6=CN=C(C=C6)C7=CC=CC=C7InChIKey: IUUSFBQGZPBYFF-UHFFFAOYSA-NInChI: 1S/C36H24N2/c1-3-11-25(12-4-1)33-21-19-27(23-37-33)35-29-15-7-9-17-31(29)36(32-18-10-8-16-30(32)35)28-20-22-34(38-24-28)26-13-5-2-6-14-26/h1-24H
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偏磷酸钡CAS号: 13762-83-9分子式: Ba(PO3)2 分子量: 295.27SMILES: [O-]P(=O)=O.[O-]P(=O)=O.[Ba+2]InChIKey: XNJIKBGDNBEQME-UHFFFAOYSA-LInChI: 1S/Ba.2HO3P/c;2*1-4(2)3/h;2*(H,1,2,3)/q+2;;/p-2
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甲磺酸溴隐亭CAS号: 22260-51-1分子式: C32H40BrN5O5.CH3SO3H 分子量: 750.7IUPAC Name: See moreSMILES: CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O.CS(=O)(=O)OInChIKey: NOJMTMIRQRDZMT-GSPXQYRGSA-NInChI: See more
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2-溴-7-碘-9,9-二甲基芴CAS号: 319906-45-1分子式: C15H12BrI 分子量: 399.06IUPAC Name: 2-bromo-7-iodo-9,9-dimethylfluoreneSMILES: CC1(C2=C(C=CC(=C2)Br)C3=C1C=C(C=C3)I)CInChIKey: LOXUVZPMEXKUEJ-UHFFFAOYSA-NInChI: 1S/C15H12BrI/c1-15(2)13-7-9(16)3-5-11(13)12-6-4-10(17)8-14(12)15/h3-8H,1-2H3
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