首页
400-620-6333
小分子和化合物库
选项
-
氨溴索碱CAS号: 18683-91-5分子式: C13H18Br2N2O 分子量: 378.1IUPAC Name: 4-[(2-amino-3,5-dibromophenyl)methylamino]cyclohexan-1-olSMILES: C1CC(CCC1NCC2=C(C(=CC(=C2)Br)Br)N)OInChIKey: JBDGDEWWOUBZPM-UHFFFAOYSA-NInChI: 1S/C13H18Br2N2O/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10/h5-6,10-11,17-18H,1-4,7,16H2
-
阿扎佩隆分子式: C19H22FN3O 分子量: 327.4IUPAC Name: 1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-oneSMILES: C1CN(CCN1CCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=N3InChIKey: XTKDAFGWCDAMPY-UHFFFAOYSA-NInChI: 1S/C19H22FN3O/c20-17-8-6-16(7-9-17)18(24)4-3-11-22-12-14-23(15-13-22)19-5-1-2-10-21-19/h1-2,5-10H,3-4,11-15H2
-
氨芬酸钠一水合物CAS号: 61618-27-7分子式: C15H12NO3·H2O·Na 分子量: 295.27IUPAC Name: sodium;2-(2-amino-3-benzoylphenyl)acetate;hydrateSMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC(=C2N)CC(=O)[O-].O.[Na+]InChIKey: QZNJPJDUBTYMRS-UHFFFAOYSA-MInChI: 1S/C15H13NO3.Na.H2O/c16-14-11(9-13(17)18)7-4-8-12(14)15(19)10-5-2-1-3-6-10;;/h1-8H,9,16H2,(H,17,18);;1H2/q;+1;/p-1
-
1-(1-金刚烷基)乙基胺盐酸盐CAS号: 1501-84-4分子式: C12H21N.HCl 分子量: 215.77IUPAC Name: 1-(1-adamantyl)ethanamine;hydrochlorideSMILES: CC(C12CC3CC(C1)CC(C3)C2)N.ClInChIKey: OZBDFBJXRJWNAV-UHFFFAOYSA-NInChI: 1S/C12H21N.ClH/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12;/h8-11H,2-7,13H2,1H3;1H
-
-
阿苯达唑CAS号: 54965-21-8 EC号: 259-414-7分子式: C12H15N3O2S 分子量: 265.33IUPAC Name: methyl N-(6-propylsulfanyl-1H-benzimidazol-2-yl)carbamateSMILES: CCCSC1=CC2=C(C=C1)N=C(N2)NC(=O)OCInChIKey: HXHWSAZORRCQMX-UHFFFAOYSA-NInChI: 1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
-
-
AMG-458CAS号: 913376-83-7分子式: C30H29N5O5 分子量: 539.58IUPAC Name: 1-(2-hydroxy-2-methylpropyl)-N-[5-(7-methoxyquinolin-4-yl)oxypyridin-2-yl]-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamideSMILES: CC1=C(C(=O)N(N1CC(C)(C)O)C2=CC=CC=C2)C(=O)NC3=NC=C(C=C3)OC4=C5C=CC(=CC5=NC=C4)OCInChIKey: GLBZSOQDAOLMGC-UHFFFAOYSA-NInChI: 1S/C30H29N5O5/c1-19-27(29(37)35(20-8-6-5-7-9-20)34(19)18-30(2,3)38)28(36)33-26-13-11-22(17-32-26)40-25-14-15-31-24-16-21(39-4)10-12-23(24)25/h5-17,38H,18H2,1-4H3,(H,32,33,36)
-
ASC-J9,二甲基姜黄素CAS号: 52328-98-0分子式: C23H24O6 分子量: 396.43IUPAC Name: (1E,4Z,6E)-1,7-bis(3,4-dimethoxyphenyl)-5-hydroxyhepta-1,4,6-trien-3-oneSMILES: COC1=C(C=C(C=C1)C=CC(=CC(=O)C=CC2=CC(=C(C=C2)OC)OC)O)OCInChIKey: ZMGUKFHHNQMKJI-CIOHCNBKSA-NInChI: 1S/C23H24O6/c1-26-20-11-7-16(13-22(20)28-3)5-9-18(24)15-19(25)10-6-17-8-12-21(27-2)23(14-17)29-4/h5-15,24H,1-4H3/b9-5+,10-6+,18-15-
-
腺嘌呤盐酸盐 半水合物CAS号: 2922-28-3分子式: C5H5N5·HCl· 1/2H2O 分子量: 171.59 (anhydrous basis)IUPAC Name: 7H-purin-6-amine;hydrochlorideSMILES: C1=NC2=NC=NC(=C2N1)N.ClInChIKey: UQVDQSWZQXDUJB-UHFFFAOYSA-NInChI: 1S/C5H5N5.ClH/c6-4-3-5(9-1-7-3)10-2-8-4;/h1-2H,(H3,6,7,8,9,10);1H
-
阿扎司琼盐酸盐CAS号: 123040-16-4分子式: C17H20ClN3O3·HCl 分子量: 386.27IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide;hydrochlorideSMILES: CN1C(=O)COC2=C(C=C(C=C21)Cl)C(=O)NC3CN4CCC3CC4.ClInChIKey: DBMKBKPJYAHLQP-UHFFFAOYSA-NInChI: 1S/C17H20ClN3O3.ClH/c1-20-14-7-11(18)6-12(16(14)24-9-15(20)22)17(23)19-13-8-21-4-2-10(13)3-5-21;/h6-7,10,13H,2-5,8-9H2,1H3,(H,19,23);1H
-
阿法替尼CAS号: 439081-18-2分子式: C24H25ClFN5O3 分子量: 485.94IUPAC Name: (E)-N-[4-(3-chloro-4-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]-4-(dimethylamino)but-2-enamideSMILES: CN(C)CC=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC4CCOC4InChIKey: ULXXDDBFHOBEHA-CWDCEQMOSA-NInChI: 1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1
