小分子和化合物库
选项
-
S-2-羟基戊二酸二钠CAS号: 63512-50-5分子式: C5H6Na2O5 分子量: 192.078IUPAC Name: disodium;(2S)-2-hydroxypentanedioateSMILES: C(CC(=O)[O-])C(C(=O)[O-])O.[Na+].[Na+]InChIKey: DZHFTEDSQFPDPP-QTNFYWBSSA-LInChI: 1S/C5H8O5.2Na/c6-3(5(9)10)1-2-4(7)8;;/h3,6H,1-2H2,(H,7,8)(H,9,10);;/q;2*+1/p-2/t3-;;/m0../s1
-
松香酸分子式: C20H30O2 分子量: 302.45IUPAC Name: (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acidSMILES: CC(C)C1=CC2=CCC3C(C2CC1)(CCCC3(C)C(=O)O)CInChIKey: RSWGJHLUYNHPMX-ONCXSQPRSA-NInChI: 1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1
-
4-丁基间苯二酚CAS号: 18979-61-8分子式: C10H14O2 分子量: 166.22IUPAC Name: 4-butylbenzene-1,3-diolSMILES: CCCCC1=C(C=C(C=C1)O)OInChIKey: CSHZYWUPJWVTMQ-UHFFFAOYSA-NInChI: 1S/C10H14O2/c1-2-3-4-8-5-6-9(11)7-10(8)12/h5-7,11-12H,2-4H2,1H3
-
3,5-二乙氧羰基-1,4-二氢-2,4,6-三甲吡啶(DDC)CAS号: 632-93-9分子式: C14H21NO4 分子量: 267.33IUPAC Name: diethyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylateSMILES: CCOC(=O)C1=C(NC(=C(C1C)C(=O)OCC)C)CInChIKey: CDVAIHNNWWJFJW-UHFFFAOYSA-NInChI: 1S/C14H21NO4/c1-6-18-13(16)11-8(3)12(14(17)19-7-2)10(5)15-9(11)4/h8,15H,6-7H2,1-5H3
-
3,3'-二氨基二丙胺(DPTA)CAS号: 56-18-8分子式: C6H17N3 分子量: 131.22IUPAC Name: N'-(3-aminopropyl)propane-1,3-diamineSMILES: C(CN)CNCCCNInChIKey: OTBHHUPVCYLGQO-UHFFFAOYSA-NInChI: 1S/C6H17N3/c7-3-1-5-9-6-2-4-8/h9H,1-8H2
-
6-硝基-2,3-二甲苯胺CAS号: 59146-96-2分子式: C8H10N2O2 分子量: 166.18IUPAC Name: 2,3-dimethyl-6-nitroanilineSMILES: CC1=C(C(=C(C=C1)[N+](=O)[O-])N)CInChIKey: YEFYPFWBLCARLC-UHFFFAOYSA-NInChI: 1S/C8H10N2O2/c1-5-3-4-7(10(11)12)8(9)6(5)2/h3-4H,9H2,1-2H3
-
-
-
Cytostatin,PP2A抑制剂CAS号: 156856-30-3 Compound CID : 6326740分子式: C21H32NaO7P 分子量: 450.44IUPAC Name: [(8E,10E,12E)-7-hydroxy-6-methyl-2-(3-methyl-6-oxo-2,3-dihydropyran-2-yl)tetradeca-8,10,12-trien-5-yl] dihydrogen phosphateSMILES: CC=CC=CC=CC(C(C)C(CCC(C)C1C(C=CC(=O)O1)C)OP(=O)(O)O)OInChIKey: PQNNIEWMPIULRS-SUTYWZMXSA-NInChI: 1S/C21H33O7P/c1-5-6-7-8-9-10-18(22)17(4)19(28-29(24,25)26)13-11-15(2)21-16(3)12-14-20(23)27-21/h5-10,12,14-19,21-22H,11,13H2,1-4H3,(H2,24,25,26)/b6-5+,8-7+,10-9+
-
Cyanine3 NHS酯CAS号: 2632339-91-2 Compound CID : 91757880分子式: C34H40N3BF4O4 分子量: 641.5IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 6-[(2E)-3,3-dimethyl-2-[(E)-3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indol-1-yl]hexanoate;tetrafluoroborateSMILES: [B-](F)(F)(F)F.CC1(C2=CC=CC=C2[N+](=C1C=CC=C3C(C4=CC=CC=C4N3CCCCCC(=O)ON5C(=O)CCC5=O)(C)C)C)CInChIKey: IKCZEWWKZQLLCC-UHFFFAOYSA-NInChI: 1S/C34H40N3O4.BF4/c1-33(2)24-14-8-10-16-26(24)35(5)28(33)18-13-19-29-34(3,4)25-15-9-11-17-27(25)36(29)23-12-6-7-20-32(40)41-37-30(38)21-22-31(37)39;2-1(3,4)5/h8-11,13-19H,6-7,12,20-23H2,1-5H3;/q+1;-1
-
-
首页
400-620-6333











