首页
400-620-6333
小分子和化合物库
选项
-
苯甲酸阿格列汀CAS号: 850649-62-6分子式: C25H27N5O4 分子量: 461.522IUPAC Name: 2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]benzonitrile;benzoic acidSMILES: CN1C(=O)C=C(N(C1=O)CC2=CC=CC=C2C#N)N3CCCC(C3)N.C1=CC=C(C=C1)C(=O)OInChIKey: KEJICOXJTRHYAK-XFULWGLBSA-NInChI: 1S/C18H21N5O2.C7H6O2/c1-21-17(24)9-16(22-8-4-7-15(20)12-22)23(18(21)25)11-14-6-3-2-5-13(14)10-19;8-7(9)6-4-2-1-3-5-6/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3;1-5H,(H,8,9)/t15-;/m1./s1
-
4-(2-二甲氨基乙氧基)-5-异丙基-2-甲基酯盐酸盐CAS号: 964-52-3分子式: C16H26ClNO3 分子量: 315.84IUPAC Name: [4-[2-(dimethylamino)ethoxy]-2-methyl-5-propan-2-ylphenyl] acetate;hydrochlorideSMILES: CC1=CC(=C(C=C1OC(=O)C)C(C)C)OCCN(C)C.ClInChIKey: IPWGSXZCDPTDEH-UHFFFAOYSA-NInChI: 1S/C16H25NO3.ClH/c1-11(2)14-10-15(20-13(4)18)12(3)9-16(14)19-8-7-17(5)6;/h9-11H,7-8H2,1-6H3;1H
-
萘甲唑啉 硝酸酯CAS号: 5144-52-5分子式: C14H14N2·HNO3 分子量: 273.29IUPAC Name: 2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole;nitric acidSMILES: C1CN=C(N1)CC2=CC=CC3=CC=CC=C32.[N+](=O)(O)[O-]InChIKey: ZAHXYMFVNNUHCP-UHFFFAOYSA-NInChI: 1S/C14H14N2.HNO3/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14;2-1(3)4/h1-7H,8-10H2,(H,15,16);(H,2,3,4)
-
-
2'-脱氧鸟苷 一水合物CAS号: 312693-72-4 Compound CID : 135445705分子式: C10H13N5O4 · H2O 分子量: 285.26IUPAC Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;hydrateSMILES: C1C(C(OC1N2C=NC3=C2N=C(NC3=O)N)CO)O.OInChIKey: LZSCQUCOIRGCEJ-FPKZOZHISA-NInChI: 1S/C10H13N5O4.H2O/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6;/h3-6,16-17H,1-2H2,(H3,11,13,14,18);1H2/t4-,5+,6+;/m0./s1
-
5-氯-2-(2,4-二氯苯氧基)苯酚分子式: C12H7Cl3O2 分子量: 289.54IUPAC Name: 5-chloro-2-(2,4-dichlorophenoxy)phenolSMILES: C1=CC(=C(C=C1Cl)O)OC2=C(C=C(C=C2)Cl)ClInChIKey: XEFQLINVKFYRCS-UHFFFAOYSA-NInChI: 1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H
-
-
间氨基苯炔盐酸盐CAS号: 207226-02-6分子式: C8H7N·HCl 分子量: 153.61IUPAC Name: 3-ethynylaniline;hydrochlorideSMILES: C#CC1=CC(=CC=C1)N.ClInChIKey: CUNYDQJCQAWKLK-UHFFFAOYSA-NInChI: 1S/C8H7N.ClH/c1-2-7-4-3-5-8(9)6-7;/h1,3-6H,9H2;1H
-
AZD-9291 甲磺酸盐CAS号: 1421373-66-1 EC号: 806-779-0分子式: C29H37N7O5S 分子量: 595.71IUPAC Name: N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;methanesulfonic acidSMILES: CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC.CS(=O)(=O)OInChIKey: FUKSNUHSJBTCFJ-UHFFFAOYSA-NInChI: See more
-
阿来西定 二盐酸盐CAS号: 22573-93-9 Compound CID : 2090分子式: C26H58Cl2N10 分子量: 581.71IUPAC Name: 1-[N'-[6-[[amino-[[N'-(2-ethylhexyl)carbamimidoyl]amino]methylidene]amino]hexyl]carbamimidoyl]-2-(2-ethylhexyl)guanidineSMILES: CCCCC(CC)CN=C(N)NC(=NCCCCCCN=C(N)NC(=NCC(CC)CCCC)N)NInChIKey: LFVVNPBBFUSSHL-UHFFFAOYSA-NInChI: 1S/C26H56N10/c1-5-9-15-21(7-3)19-33-25(29)35-23(27)31-17-13-11-12-14-18-32-24(28)36-26(30)34-20-22(8-4)16-10-6-2/h21-22H,5-20H2,1-4H3,(H5,27,29,31,33,35)(H5,28,30,32,34,36)
-
7-氨基-3-[(2-甲基-134-噻二唑-5-基硫基)甲基]-3-头孢烯-4-甲酸CAS号: 30246-33-4分子式: C11H12N4O3S3 分子量: 344.43IUPAC Name: (6R,7R)-7-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidSMILES: CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)N)SC2)C(=O)OInChIKey: HJSGHKMSDOLGJJ-HZGVNTEJSA-NInChI: 1S/C11H12N4O3S3/c1-4-13-14-11(21-4)20-3-5-2-19-9-6(12)8(16)15(9)7(5)10(17)18/h6,9H,2-3,12H2,1H3,(H,17,18)/t6-,9-/m1/s1
-
Alda 1,ALDH2激活剂CAS号: 349438-38-6分子式: C15H11Cl2NO3 分子量: 324.16IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamideSMILES: C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(C=CC=C3Cl)ClInChIKey: NMKJFZCBCIUYHI-UHFFFAOYSA-NInChI: 1S/C15H11Cl2NO3/c16-10-2-1-3-11(17)14(10)15(19)18-7-9-4-5-12-13(6-9)21-8-20-12/h1-6H,7-8H2,(H,18,19)
![7-氨基-3-[(2-甲基-134-噻二唑-5-基硫基)甲基]-3-头孢烯-4-甲酸](https://mgt-cn248-dev.env.aladdin-e.com/media/catalog/product/cache/376550291f0b07c370a96cc20f301bc2/A/3/A303378.png)
