首页
400-620-6333
小分子和化合物库
选项
-
邻苯二甲酸单环己酯-d4CAS号: 1398066-18-6分子式: C14H12D4O4 分子量: 252.3IUPAC Name: 2-cyclohexyloxycarbonyl-3,4,5,6-tetradeuteriobenzoateSMILES: C1CCC(CC1)OC(=O)C2=CC=CC=C2C(=O)[O-]InChIKey: PMDKYLLIOLFQPO-DOGSKSIHSA-MInChI: 1S/C14H16O4/c15-13(16)11-8-4-5-9-12(11)14(17)18-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,15,16)/p-1/i4D,5D,8D,9D
-
D -葡萄糖-1-¹³CCAS号: 40762-22-9分子式: 13CC5H12O6 分子量: 181.15IUPAC Name: (3R,4S,5S,6R)-6-(hydroxymethyl)(213C)oxane-2,3,4,5-tetrolSMILES: C(C1C(C(C(C(O1)O)O)O)O)OInChIKey: WQZGKKKJIJFFOK-USBRANDWSA-NInChI: 1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1/i6+1
-
甘氨酸-2-13CCAS号: 20220-62-6分子式: H2N13CH2CO2H 分子量: 76.06IUPAC Name: 2-aminoacetic acidSMILES: C(C(=O)O)NInChIKey: DHMQDGOQFOQNFH-OUBTZVSYSA-NInChI: 1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/i1+1
-
乙酸苯酯-d5CAS号: 22705-26-6分子式: C8H3D5O2 分子量: 141.18IUPAC Name: (2,3,4,5,6-pentadeuteriophenyl) acetateSMILES: CC(=O)OC1=CC=CC=C1InChIKey: IPBVNPXQWQGGJP-VIQYUKPQSA-NInChI: 1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3/i2D,3D,4D,5D,6D
-
棕榈酸-1-（¹³C）CAS号: 57677-53-9分子式: (13C)C15H32O2 分子量: 257.42IUPAC Name: (113C)hexadecanoic acidSMILES: CCCCCCCCCCCCCCCC(=O)OInChIKey: IPCSVZSSVZVIGE-LOYIAQTISA-NInChI: 1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/i16+1
-
盐酸环丙沙星-d8CAS号: 1216659-54-9分子式: C17H11D8ClFN3O3 分子量: 375.85IUPAC Name: 1-cyclopropyl-6-fluoro-7-(2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrochlorideSMILES: C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O.ClInChIKey: DIOIOSKKIYDRIQ-JCYLEXHWSA-NInChI: 1S/C17H18FN3O3.ClH/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24;/h7-10,19H,1-6H2,(H,23,24);1H/i3D2,4D2,5D2,6D2;
-
盐酸阿米替林-d6CAS号: 203645-63-0分子式: C20H18D6ClN 分子量: 319.90IUPAC Name: 3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)-N,N-bis(trideuteriomethyl)propan-1-amine;hydrochlorideSMILES: CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31.ClInChIKey: KFYRPLNVJVHZGT-TXHXQZCNSA-NInChI: 1S/C20H23N.ClH/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20;/h3-6,8-12H,7,13-15H2,1-2H3;1H/i1D3,2D3;
-
苄醇-α-13CCAS号: 54522-91-7分子式: C6H5(13C)H2OH 分子量: 109.13IUPAC Name: phenyl(113C)methanolSMILES: C1=CC=C(C=C1)COInChIKey: WVDDGKGOMKODPV-PTQBSOBMSA-NInChI: 1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2/i6+1
-
1-十二烷醇-1-¹³CCAS号: 88170-32-5分子式: CH3(CH2)1013CH2OH 分子量: 187.33IUPAC Name: (113C)dodecan-1-olSMILES: CCCCCCCCCCCCOInChIKey: LQZZUXJYWNFBMV-HNHCFKFXSA-NInChI: 1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3/i12+1
-
2-酮基-3-甲基丁酸-¹³C₅钠盐CAS号: 1173018-24-0分子式: 13CH313CH(13CH3)13CO13CO2Na 分子量: 143.06IUPAC Name: sodium;3-(113C)methyl-2-oxo(1,2,3,4-13C4)butanoateSMILES: CC(C)C(=O)C(=O)[O-].[Na+]InChIKey: WIQBZDCJCRFGKA-JFGXUQBHSA-MInChI: 1S/C5H8O3.Na/c1-3(2)4(6)5(7)8;/h3H,1-2H3,(H,7,8);/q;+1/p-1/i1+1,2+1,3+1,4+1,5+1;
-
25-羟基维生素 D₂ (6,19,19-d₃) 溶液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: See more
-
25-羟基维生素 D₂ (6,19,19-d₃) 溶液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: See more
