Compound Search
化合物数据库
基于 PubChem CID 索引,支持名称 / 同义词 / CAS / SMILES 检索。
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(1R,3aS,3bR,9aR,9bS,11aS)-1-acetyl-6-bromo-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl 4-fluorobenzoate PubChem CID 11734165
CC(=O)[C@@]1(OC(=O)c2ccc(F)cc2)CC[C@H]2[C@@H]3CCC4=C(Br)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C -
2-Benzyl-2-hydroxybutanedioic acid 1-[[(1S,7abeta)-hexahydro-1H-pyrrolizin-1beta-yl]methyl]4-methyl ester CAS 23412-99-9 PubChem CID 12305131
COC(=O)CC(O)(Cc1ccccc1)C(=O)OC[C@H]1CCN2CCC[C@H]12 -
Cl[Pm](Cl)Cl -
Indeno(1,7a-b)oxiren-2(1aH)-one, 3-(3-furanyl)hexahydro-3a,7,7-trimethyl-, (1aS,3S,3aS,7aS)- CAS 167937-11-3 PubChem CID 14566041
CC1(C)CCC[C@@]2(C)[C@@H](c3ccoc3)C(=O)[C@H]3O[C@@]312 -
arsenic(5+); tungsten(6+); vanadium(4+); nonahexacontahydrate PubChem CID 16076184
[As+5].[As+5].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[V+4].[V+4].[V+4].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W] -
bismuth(5+); tungsten(6+); vanadium(4+); nonahexacontahydrate PubChem CID 16076185
[Bi].[Bi].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[V+4].[V+4].[V+4].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W] -
{[(NH4)12 H (BiW9O33)3 Bi6 (OH)3 (H2O)3 V4H10] 25H2O, Keggin Trigonal} PubChem CID 16076186
O.O.O.[Bi].[Bi].[Bi].[Bi].[Bi].[Bi].[Bi].[Bi].[Bi].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[OH-].[OH-].[OH-].[V].[V].[V].[V].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W] -
NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@H]2OCCNCCc2ccccc2)[C@H]1O -
21H,18-dipropanoic acid, 7,12-diethenyl-3,8,13,17-tetramethyl-, disodium salt CAS 50865-01-5 PubChem CID 20136781
C=Cc1c(C)c2cc3[nH]c(cc4nc(cc5nc(cc1[nH]2)C(C)=C5CCC(=O)O)C(CCC(=O)O)=C4C)c(C)c3C=C.[Na+] -
SCHEMBL13575507 PubChem CID 20763057
CC1C(n2ccc(N)nc2=O)OC(CO)(N=[N+]=[N-])C1O -
Benzenamine, 3,5-dibromo-4-(2-(dimethylamino)ethoxy)-, (2Z)-2-butenedioate (1:1) CAS 14111-16-1 PubChem CID 20839734
CN(C)CCOc1c(Br)cc(N)cc1Br.O=C(O)/C=C\C(=O)O -
C1COOCO1 -
Glycine,N-[4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-2-bromophenyl]-N-(2-ethoxy-2-oxoethyl)-,ethyl ester CAS 115168-69-9 PubChem CID 22065366
CCOC(=O)CN(CC(=O)OCC)c1ccc(-c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)cc1Br -
2-Oxazolidinone, 3-((5-nitro-2-furfurylidene)amino)-5-((4-octyl-1-piperazinyl)methyl)-, dihydrochloride CAS 96059-01-7 PubChem CID 24840882
CCCCCCCCN1CCN(CC2CN(/N=C/c3ccc([N+](=O)[O-])o3)C(=O)O2)CC1.Cl.Cl -
1,4,5,6,8-PENTAAZAACENAPHTHYLEN-3-AMINE, 1,5-DIHYDRO-5-METHYL-1-(5-O-PHOSPHONO-.BETA.-D-RIBOFURANOSYL)-, HYDRATE (1:1) CAS 1032073-93-0 PubChem CID 24840908
CN1N=C(N)c2cn([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c3ncnc1c23.O -
Cc1ncc(CO)c(C[NH3+])c1O -
4-amino-1-((2R,3S,4S,5R)-5-azido-4-hydroxy-5-(hydroxymethyl)-3-methyltetrahydrofuran-2-yl)pyrimidin-2(1H)-one CAS 1019639-20-3 PubChem CID 42601468
C[C@@H]1[C@H](n2ccc(N)nc2=O)O[C@@](CO)(N=[N+]=[N-])[C@H]1O -
3-Ethyl-5,6-dihydro-1,5beta,6alpha-trihydroxy-8-methoxybenzo[a]anthracene-7,12-dione PubChem CID 42603803
CCc1cc(O)c2c(c1)[C@@H](O)[C@H](O)C1=C2C(=O)c2cccc(OC)c2C1=O -
2-(4-Aminopyrrolo[2,1-f][1,2,4]triazine-7-yl)-3alpha,4alpha-dihydroxy-3-methyl-5beta-(hydroxymethyl)tetrahydrofuran-2alpha-carbonitrile CAS 1191237-49-6 PubChem CID 44470275
C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@@]1(C#N)c1ccc2c(N)ncnn12 -
1-O-{hydroxy[(4,8,12,16,20-pentamethylheptacosyl)oxy]phosphoryl}-beta-D-mannopyranose PubChem CID 45480561
CCCCCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCOP(=O)(O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O