小分子和化合物库
选项
-
AR-C155858,MCT1和MCT2抑制剂CAS号: 496791-37-8分子式: C21H27N5O5S 分子量: 461.53IUPAC Name: 6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-[(4S)-4-hydroxy-1,2-oxazolidine-2-carbonyl]-3-methyl-1-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dioneSMILES: CC1=C(C(=NN1)C)CC2=C(C3=C(S2)N(C(=O)N(C3=O)C)CC(C)C)C(=O)N4CC(CO4)OInChIKey: ISIVOJWVBJIOFM-ZDUSSCGKSA-NInChI: 1S/C21H27N5O5S/c1-10(2)7-25-20-17(18(28)24(5)21(25)30)16(19(29)26-8-13(27)9-31-26)15(32-20)6-14-11(3)22-23-12(14)4/h10,13,27H,6-9H2,1-5H3,(H,22,23)/t13-/m0/s1
-
-
γ-谷氨酰-β-萘酰胺CAS号: 14525-44-1分子式: C15H16N2O3 分子量: 272.3IUPAC Name: (2S)-2-amino-5-(naphthalen-2-ylamino)-5-oxopentanoic acidSMILES: C1=CC=C2C=C(C=CC2=C1)NC(=O)CCC(C(=O)O)NInChIKey: XWCSDVVHAXLZNL-ZDUSSCGKSA-NInChI: 1S/C15H16N2O3/c16-13(15(19)20)7-8-14(18)17-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13H,7-8,16H2,(H,17,18)(H,19,20)/t13-/m0/s1
-
-
硫酸沙丁胺醇CAS号: 51022-70-9分子式: C26H42N2O6•H2SO4 分子量: 576.70IUPAC Name: 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol;sulfuric acidSMILES: CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O.CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O.OS(=O)(=O)OInChIKey: BNPSSFBOAGDEEL-UHFFFAOYSA-NInChI: 1S/2C13H21NO3.H2O4S/c2*1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15;1-5(2,3)4/h2*4-6,12,14-17H,7-8H2,1-3H3;(H2,1,2,3,4)
-
甲氧氯普胺 盐酸盐分子式: C14H22ClN3O2.HCl 分子量: 336.26IUPAC Name: 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide;hydrochlorideSMILES: CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl.ClInChIKey: RVFUNJWWXKCWNS-UHFFFAOYSA-NInChI: 1S/C14H22ClN3O2.ClH/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3;/h8-9H,4-7,16H2,1-3H3,(H,17,19);1H
-
盐酸阿莫洛芬CAS号: 106614-68-0分子式: C21H36ClNO 分子量: 353.97IUPAC Name: (2R,6S)-2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine;hydrochlorideSMILES: CCC(C)(C)C1=CC=C(C=C1)CC(C)CN2CC(OC(C2)C)C.ClInChIKey: XZKWIPVTHGWDCF-KUZYQSSXSA-NInChI: 1S/C21H35NO.ClH/c1-7-21(5,6)20-10-8-19(9-11-20)12-16(2)13-22-14-17(3)23-18(4)15-22;/h8-11,16-18H,7,12-15H2,1-6H3;1H/t16?,17-,18+;
-
-
乙酸丙酸酐CAS号: 13080-96-1分子式: C5H8O3 分子量: 116.12IUPAC Name: acetyl propanoateSMILES: CCC(=O)OC(=O)CInChIKey: KLUDQUOLAFVLOL-UHFFFAOYSA-NInChI: 1S/C5H8O3/c1-3-5(7)8-4(2)6/h3H2,1-2H3
-
3-氨基-6-溴-2-吡嗪甲醛CAS号: 1196156-63-4分子式: C5H4BrN3O 分子量: 202.02IUPAC Name: 3-amino-6-bromopyrazine-2-carbaldehydeSMILES: C1=C(N=C(C(=N1)N)C=O)BrInChIKey: MVAXLZNZPNMCGT-UHFFFAOYSA-NInChI: 1S/C5H4BrN3O/c6-4-1-8-5(7)3(2-10)9-4/h1-2H,(H2,7,8)
-
2-氨基-2-(4-甲氧基苯基)乙酸CAS号: 19789-59-4分子式: C9H11NO3 分子量: 181.191IUPAC Name: 2-amino-2-(4-methoxyphenyl)acetic acidSMILES: COC1=CC=C(C=C1)C(C(=O)O)NInChIKey: GXUAKXUIILGDKW-UHFFFAOYSA-NInChI: 1S/C9H11NO3/c1-13-7-4-2-6(3-5-7)8(10)9(11)12/h2-5,8H,10H2,1H3,(H,11,12)
-
4-乙酰基-L-苯丙氨酸盐酸盐CAS号: 20299-31-4分子式: C11H14ClNO3 分子量: 243.69IUPAC Name: (2S)-3-(4-acetylphenyl)-2-aminopropanoic acid;hydrochlorideSMILES: CC(=O)C1=CC=C(C=C1)CC(C(=O)O)N.ClInChIKey: TZRAOLAVYBTWGD-PPHPATTJSA-NInChI: 1S/C11H13NO3.ClH/c1-7(13)9-4-2-8(3-5-9)6-10(12)11(14)15;/h2-5,10H,6,12H2,1H3,(H,14,15);1H/t10-;/m0./s1
首页
400-620-6333











