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SQ-NHSCAS号 : 154161-81-6 Compound CID : 5095317分子式: C34H32ClN3O6 分子量: 614.09IUPAC Name: 4-[(5-chloro-1,3,3-trimethylindol-1-ium-2-yl)methylidene]-2-[[5-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-1-ethyl-3,3-dimethylindol-2-ylidene]methyl]-3-oxocyclobuten-1-olateSMILES: CCN1C2=C(C=C(C=C2)C(=O)ON3C(=O)CCC3=O)C(C1=CC4=C(C(=CC5=[N+](C6=C(C5(C)C)C=C(C=C6)Cl)C)C4=O)[O-])(C)CInChIKey: RRLJXAKQFSXTLC-UHFFFAOYSA-NInChI: InChI=1S/C34H32ClN3O6/c1-7-37-25-10-8-18(32(43)44-38-28(39)12-13-29(38)40)14-22(25)34(4,5)27(37)17-21-30(41)20(31(21)42)16-26-33(2,3)23-15-19(35)9-11-24(23)36(26)6/h8-11,14-17H,7,12-13H2,1-6H3
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尿苷-5,6-d2CAS号 : 40632-21-1分子式: C9H10D2N2O6 分子量: 246.21IUPAC Name: 5,6-dideuterio-1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dioneSMILES: C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)OInChIKey: DRTQHJPVMGBUCF-TTYVMISXSA-NInChI: InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6+,7?,8-/m1/s1/i1D,2D
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苯乙胺-d4CAS号 : 87620-08-4分子式: C8H7D4N 分子量: 125.19IUPAC Name: 1,1,2,2-tetradeuterio-2-phenylethanamineSMILES: C1=CC=C(C=C1)CCNInChIKey: BHHGXPLMPWCGHP-KXGHAPEVSA-NInChI: InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2/i6D2,7D2
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1-丙醇-1,1,2,2,3,3,3-d7CAS号 : 102910-31-6分子式: C3HD7O 分子量: 67.14IUPAC Name: 1,1,2,2,3,3,3-heptadeuteriopropan-1-olSMILES: CCCOInChIKey: BDERNNFJNOPAEC-NCKGIQLSSA-NInChI: InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3/i1D3,2D2,3D2
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25-羟基维生素 D₂ (6,19,19-d₃)CAS号 : 1217467-39-4 Compound CID : 71310751分子式: C28D3H41O2 分子量: 415.67IUPAC Name: (1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-deuterioethylidene]-4-(dideuteriomethylidene)cyclohexan-1-olSMILES: [2H]/C([2H])=C1CC[C@H](O)CC\1=C([2H])\C=C2/CCC[C@]3(C)[C@H](CC[C@@H]23)[C@H](C)\C=C\[C@H](C)C(C)(C)OInChIKey: KJKIIUAXZGLUND-ABHIMYCLSA-NInChI: InChI=1S/C28H44O2/c1-19-10-14-24(29)18-23(19)13-12-22-8-7-17-28(6)25(15-16-26(22)28)20(2)9-11-21(3)27(4,5)30/h9,11-13,20-21,24-26,29-30H,1,7-8,10,14-18H2,2-6H3/b11-9?,22-12+,23-13+/t20-,21+,24+,25-,26+,28-/m1/s1/i1D2,13D
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4-甲基戊酸-d11CAS号 : 344298-98-2分子式: C6HD11O2 分子量: 127.23IUPAC Name: 2,2,3,3,4,5,5,5-octadeuterio-4-(trideuteriomethyl)pentanoic acidSMILES: CC(C)CCC(=O)OInChIKey: FGKJLKRYENPLQH-KUXNVAAFSA-NInChI: InChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)/i1D3,2D3,3D2,4D2,5D
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水杨醛-d4CAS号 : 1054450-84-8分子式: C7H2D4O2 分子量: 126.15IUPAC Name: 2,3,4,5-tetradeuterio-6-hydroxybenzaldehydeSMILES: [2H]C1=C(C(=C(C(=C1[2H])C=O)O)[2H])[2H]InChIKey: SMQUZDBALVYZAC-RHQRLBAQSA-NInChI: InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H/i1D,2D,3D,4D
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4-溴苯甲醛-d4CAS号 : 1173020-64-8分子式: C7HD4BrO 分子量: 189.04IUPAC Name: 4-bromo-2,3,5,6-tetradeuteriobenzaldehydeSMILES: [2H]C1=C(C(=C(C(=C1C=O)[2H])[2H])Br)[2H]InChIKey: ZRYZBQLXDKPBDU-RHQRLBAQSA-NInChI: InChI=1S/C7H5BrO/c8-7-3-1-6(5-9)2-4-7/h1-5H/i1D,2D,3D,4D
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2-羟基异丁酸甲酯-d6CAS号 : 40662-44-0分子式: C5H4D6O3 分子量: 124.17IUPAC Name: methyl 3,3,3-trideuterio-2-hydroxy-2-(trideuteriomethyl)propanoateSMILES: [2H]C([2H])([2H])C(C(=O)OC)(C([2H])([2H])[2H])OInChIKey: XYVQFUJDGOBPQI-WFGJKAKNSA-NInChI: InChI=1S/C5H10O3/c1-5(2,7)4(6)8-3/h7H,1-3H3/i1D3,2D3
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2,3-二甲基溴苯-d6CAS号 : 1185306-56-2分子式: C8H3D6Br 分子量: 191.10IUPAC Name: 1-bromo-2,3-bis(trideuteriomethyl)benzeneSMILES: [2H]C([2H])([2H])C1=C(C(=CC=C1)Br)C([2H])([2H])[2H]InChIKey: WLPXNBYWDDYJTN-WFGJKAKNSA-NInChI: InChI=1S/C8H9Br/c1-6-4-3-5-8(9)7(6)2/h3-5H,1-2H3/i1D3,2D3
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羟利培酮-D4CAS号 : 1020719-55-4分子式: C23D4H23FN4O3 分子量: 430.51IUPAC Name: 9-hydroxy-2-methyl-3-[1,1,2,2-tetradeuterio-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-oneSMILES: CC1=C(C(=O)N2CCCC(C2=N1)O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)FInChIKey: PMXMIIMHBWHSKN-FJVJJXCISA-NInChI: InChI=1S/C23H27FN4O3/c1-14-17(23(30)28-9-2-3-19(29)22(28)25-14)8-12-27-10-6-15(7-11-27)21-18-5-4-16(24)13-20(18)31-26-21/h4-5,13,15,19,29H,2-3,6-12H2,1H3/i8D2,12D2
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DL-肉碱盐酸盐-d9CAS号 : 1219386-75-0分子式: C7H7D9ClNO3 分子量: 206.72IUPAC Name: (3-carboxy-2-hydroxypropyl)-tris(trideuteriomethyl)azanium;chlorideSMILES: C[N+](C)(C)CC(CC(=O)O)O.[Cl-]InChIKey: JXXCENBLGFBQJM-KYRNGWDOSA-NInChI: InChI=1S/C7H15NO3.ClH/c1-8(2,3)5-6(9)4-7(10)11;/h6,9H,4-5H2,1-3H3;1H/i1D3,2D3,3D3;
