小分子和化合物库
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苯丙甲胺-d3盐酸盐CAS号: 1246820-88-1 Compound CID : 71751638分子式: C10H12D3N•HCl 分子量: 188.71IUPAC Name: 2-phenyl-N-(trideuteriomethyl)propan-1-amine;hydrochlorideSMILES: CC(CNC)C1=CC=CC=C1.ClInChIKey: OQHDRLTXPGYYJN-MUTAZJQDSA-NInChI: 1S/C10H15N.ClH/c1-9(8-11-2)10-6-4-3-5-7-10;/h3-7,9,11H,8H2,1-2H3;1H/i2D3;
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西酞普兰-d6CAS号: 1190003-26-9分子式: C20H15D6FN2O 分子量: 330.43IUPAC Name: 1-[3-[bis(trideuteriomethyl)amino]propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrileSMILES: CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)FInChIKey: WSEQXVZVJXJVFP-WFGJKAKNSA-NInChI: 1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/i1D3,2D3
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铝钴粉CAS号: 11114-55-9分子式: AlCo 分子量: 85.914IUPAC Name: aluminum;cobaltSMILES: [Al].[Co]InChIKey: MDKXFHZSHLHFLN-UHFFFAOYSA-NInChI: 1S/Al.Co
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阿立哌唑-d8CAS号: 1089115-06-9分子式: C23H19D8Cl2N3O2 分子量: 456.43IUPAC Name: 7-[4-[2,2,3,3,5,5,6,6-octadeuterio-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-FUEQIQQISA-NInChI: 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)/i11D2,12D2,13D2,14D2
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高香草酸-d3CAS号: 74495-71-9分子式: C9H7D3O4 分子量: 185.19IUPAC Name: 2-[4-hydroxy-3-(trideuteriomethoxy)phenyl]acetic acidSMILES: COC1=C(C=CC(=C1)CC(=O)O)OInChIKey: QRMZSPFSDQBLIX-FIBGUPNXSA-NInChI: 1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12)/i1D3
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1H-吲哚-d5-3-乙酰胺CAS号: 1204700-53-7分子式: C10H5D5N2O 分子量: 179.23IUPAC Name: 2-(2,4,5,6,7-pentadeuterio-1H-indol-3-yl)acetamideSMILES: C1=CC=C2C(=C1)C(=CN2)CC(=O)NInChIKey: ZOAMBXDOGPRZLP-SNOLXCFTSA-NInChI: 1S/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H2,11,13)/i1D,2D,3D,4D,6D
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25-羟基维生素D2-d6CAS号: 1262843-46-8 Compound CID : 66577027分子式: C28H38D6O2 分子量: 418.68IUPAC Name: See moreSMILES: CC(C=CC(C)C(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)CInChIKey: KJKIIUAXZGLUND-SGQRFKNGSA-NInChI: See more
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西酞普兰-d6草酸盐CAS号: 1217733-09-9 Compound CID : 46781029分子式: C22H17D6FN2O5 分子量: 420.46IUPAC Name: (1S)-1-[3-[bis(trideuteriomethyl)amino]propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;oxalic acidSMILES: CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.C(=O)(C(=O)O)OInChIKey: KTGRHKOEFSJQNS-RURDCJKXSA-NInChI: 1S/C20H21FN2O.C2H2O4/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20;3-1(4)2(5)6/h4-9,12H,3,10-11,14H2,1-2H3;(H,3,4)(H,5,6)/t20-;/m0./s1/i1D3,2D3;
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