小分子和化合物库
选项
-
盐酸氨溴索CAS号: 23828-92-4 EC号: 245-899-2分子式: C13H18Br2N2O·HCl 分子量: 414.56IUPAC Name: 4-[(2-amino-3,5-dibromophenyl)methylamino]cyclohexan-1-ol;hydrochlorideSMILES: C1CC(CCC1NCC2=C(C(=CC(=C2)Br)Br)N)O.ClInChIKey: QNVKOSLOVOTXKF-UHFFFAOYSA-NInChI: 1S/C13H18Br2N2O.ClH/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;1H
-
盐酸阿替卡因CAS号: 23964-57-0分子式: C13H20N2O3S·HCl 分子量: 320.84IUPAC Name: methyl 4-methyl-3-[2-(propylamino)propanoylamino]thiophene-2-carboxylate;hydrochlorideSMILES: CCCNC(C)C(=O)NC1=C(SC=C1C)C(=O)OC.ClInChIKey: GDWDBGSWGNEMGJ-UHFFFAOYSA-NInChI: 1S/C13H20N2O3S.ClH/c1-5-6-14-9(3)12(16)15-10-8(2)7-19-11(10)13(17)18-4;/h7,9,14H,5-6H2,1-4H3,(H,15,16);1H
-
Protein Tyrosine Kinase InhibitorsCAS号: 1218779-75-9分子式: C25H27N5O4S 分子量: 493.58IUPAC Name: N-[4-(1-cyanocyclopentyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;methanesulfonic acidSMILES: CS(=O)(=O)O.C1CCC(C1)(C#N)C2=CC=C(C=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4InChIKey: FYJROXRIVQPKRY-UHFFFAOYSA-NInChI: 1S/C24H23N5O.CH4O3S/c25-17-24(11-1-2-12-24)19-5-7-20(8-6-19)29-23(30)21-4-3-13-27-22(21)28-16-18-9-14-26-15-10-18;1-5(2,3)4/h3-10,13-15H,1-2,11-12,16H2,(H,27,28)(H,29,30);1H3,(H,2,3,4)
-
Azaphen,阿扎吩CAS号: 24853-80-3 Compound CID : 159976分子式: C16H21Cl2N5O 分子量: 370.28IUPAC Name: 5-methyl-3-(4-methylpiperazin-1-yl)pyridazino[3,4-b][1,4]benzoxazine;dihydrochlorideSMILES: CN1CCN(CC1)C2=NN=C3C(=C2)N(C4=CC=CC=C4O3)C.Cl.ClInChIKey: ZZVWCKAYZSAUKR-UHFFFAOYSA-NInChI: 1S/C16H19N5O.2ClH/c1-19-7-9-21(10-8-19)15-11-13-16(18-17-15)22-14-6-4-3-5-12(14)20(13)2;;/h3-6,11H,7-10H2,1-2H3;2*1H
-
-
阿折地平CAS号: 123524-52-7分子式: C33H34N4O6 分子量: 582.65IUPAC Name: 3-O-(1-benzhydrylazetidin-3-yl) 5-O-propan-2-yl 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylateSMILES: CC1=C(C(C(=C(N1)N)C(=O)OC2CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC(C)CInChIKey: ZKFQEACEUNWPMT-UHFFFAOYSA-NInChI: 1S/C33H34N4O6/c1-20(2)42-32(38)27-21(3)35-31(34)29(28(27)24-15-10-16-25(17-24)37(40)41)33(39)43-26-18-36(19-26)30(22-11-6-4-7-12-22)23-13-8-5-9-14-23/h4-17,20,26,28,30,35H,18-19,34H2,1-3H3
-
LY500307,雌激素受体β激动剂CAS号: 533884-09-2分子式: C18H18O3 分子量: 282.33IUPAC Name: (3aS,4R,9bR)-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-olSMILES: C1CC2C(C1)C3=C(C=CC(=C3)O)OC2C4=CC=C(C=C4)OInChIKey: XIESSJVMWNJCGZ-VKJFTORMSA-NInChI: 1S/C18H18O3/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(20)8-9-17(16)21-18/h4-10,14-15,18-20H,1-3H2/t14-,15+,18+/m1/s1
-
甲基泼尼松CAS号: 1247-42-3分子式: C22H28O5 分子量: 372.455IUPAC Name: (8S,9S,10R,13S,14S,16S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dioneSMILES: CC1CC2C3CCC4=CC(=O)C=CC4(C3C(=O)CC2(C1(C(=O)CO)O)C)CInChIKey: PIDANAQULIKBQS-RNUIGHNZSA-NInChI: 1S/C22H28O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-20(13,2)19(15)17(25)10-21(16,3)22(12,27)18(26)11-23/h6-7,9,12,15-16,19,23,27H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,19+,20-,21-,22-/m0/s1
-
(-)-MK801 马来酸盐CAS号: 121917-57-5分子式: C20H19NO4 分子量: 337.37IUPAC Name: (Z)-but-2-enedioic acid;(1R,9S)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaeneSMILES: CC12C3=CC=CC=C3CC(N1)C4=CC=CC=C24.C(=CC(=O)O)C(=O)OInChIKey: QLTXKCWMEZIHBJ-FWHYOZOBSA-NInChI: 1S/C16H15N.C4H4O4/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16;5-3(6)1-2-4(7)8/h2-9,15,17H,10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t15-,16+;/m0./s1
-
盐酸美普他酚CAS号: 59263-76-2分子式: C15H23NO·HCl 分子量: 269.81IUPAC Name: 3-(3-ethyl-1-methylazepan-3-yl)phenol;hydrochlorideSMILES: CCC1(CCCCN(C1)C)C2=CC(=CC=C2)O.ClInChIKey: MPJUSISYVXABBH-UHFFFAOYSA-NInChI: 1S/C15H23NO.ClH/c1-3-15(9-4-5-10-16(2)12-15)13-7-6-8-14(17)11-13;/h6-8,11,17H,3-5,9-10,12H2,1-2H3;1H
-
盐酸莫西沙星CAS号: 186826-86-8分子式: C21H24FN3O4.HCl 分子量: 437.89IUPAC Name: 7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;hydrochlorideSMILES: COC1=C2C(=CC(=C1N3CC4CCCNC4C3)F)C(=O)C(=CN2C5CC5)C(=O)O.ClInChIKey: IDIIJJHBXUESQI-DFIJPDEKSA-NInChI: 1S/C21H24FN3O4.ClH/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24;/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28);1H/t11-,16+;/m0./s1
-
盐酸甲烯土霉素分子式: C22H22N2O8·HCl 分子量: 478.88IUPAC Name: (4S,4aR,5S,5aR,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methylidene-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;hydrochlorideSMILES: CN(C)C1C2C(C3C(=C)C4=C(C(=CC=C4)O)C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O.ClInChIKey: VXPSARQTYDZXAO-CCHMMTNSSA-NInChI: 1S/C22H22N2O8.ClH/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;/h4-6,10,14-15,17,25-27,30,32H,1H2,2-3H3,(H2,23,31);1H/t10-,14-,15+,17+,22+;/m1./s1
首页
400-620-6333











