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。
-
Hydrogen 5-chloro-2-(2-((5-phenyl-3-(3-sulphonatobutyl)-3H-benzoxazol-2-ylidene)methyl)but-1-enyl)-3- CAS 63148-90-3 PubChem CID 162995
CCC(=Cc1oc2ccc(-c3ccccc3)cc2[n+]1CCC(C)S(=O)(=O)O)C=C1Oc2ccc(Cl)cc2N1CCCS(=O)(=O)[O-].CCN(CC)CC -
3-Carboxy-N,N,N-trimethyl-2-propen-1-aminium chloride (1:1); (3-Carboxyallyl)trimethylammonium chloride CAS 6538-82-5 PubChem CID 201677
C[N+](C)(C)CC=CC(=O)O.[Cl-] -
(3S)-9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid; CAS 100986-89-8 PubChem CID 688333
C[C@H]1COc2c(F)c(F)cc3c(=O)c(C(=O)O)cn1c23 -
2-Thiophenepropanoic acid; 2-Thiophenepropionic acid (6CI,7CI,8CI); 3-(2-Thienyl)propanoic acid; 3-(2 CAS 5928-51-8 PubChem CID 703169
O=C(O)CCc1cccs1 -
Tacrolimus Related Compound A, Ascomycin; Changchuanmycin; FK 520; FR 520; FR 900520; Immunomycin; L CAS 104987-12-4 PubChem CID 5282071
CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC -
Trospium chloride; (1R,3r,5S)-3-[(Hydroxydiphenylacetyl)oxy]spiro[8-azoniabicyclo[3.2.1]octane-8,1'-pyrrolidinium CAS 10405-02-4 PubChem CID 5284631
O=C(OC1C[C@H]2CC[C@@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1.[Cl-] -
(1Z)-5-Fluoro-2-methyl-1-[[4-(methylsulfonyl)phenyl]methylene]-1H-indene-3-acetic Acid; 1H-Indene-3-acetic CAS 59973-80-7 PubChem CID 5472495
CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1ccc(S(C)(=O)=O)cc1 -
Naphtho[1,2-d]thiazolium, 2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(3-sulfobutyl)-2H-benzimidazol-2-ylidene CAS 63148-94-7 PubChem CID 6441904
CCN(CC)CC.CCN1/C(=C\C=C\c2sc3ccc4ccccc4c3[n+]2CCCS(=O)(=O)[O-])N(CCC(C)S(=O)(=O)O)c2cc(Cl)c(Cl)cc21 -
Octadecadienoic acid (Z,Z)-, 1-[[(1-oxo-9-octadecenyl)oxy]methyl]-1,2-ethanediyl ester, (Z)-; Linolein, 3- CAS 2190-21-8 PubChem CID 9544291
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC -
Acetamide, N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)phenyl]-N-ethyl-; N-[3-(3-Cyanopyrazolo[1,5-a]pyrimidin CAS 478081-98-0 PubChem CID 9879548
CCN(C(C)=O)c1cccc(-c2ccn3ncc(C#N)c3n2)c1 -
Biphenyl-2-carboxylic acid {3-chloro-4-[3-(4-methyl-piperazine-1-carbonyl)-5H,11H-benzo[e]pyrrolo[1,2 PubChem CID 9961036
CN1CCN(C(=O)c2ccc3n2Cc2ccccc2N(C(=O)c2ccc(NC(=O)c4ccccc4-c4ccccc4)cc2Cl)C3)CC1 -
Phosphoric acid 3-chloro-phenyl ester 12-(2-{1-[3-(3-methyl-indol-1-yl)-propyl]-1H-indol-3-yl}-acetylamino PubChem CID 10417437
Cc1cn(CCCn2cc(CC(=O)NCCCCCCCCCCCCOP(=O)(O)Oc3cccc(Cl)c3)c3ccccc32)c2ccccc12 -
2-(4-Chloro-phenoxymethyl)-5-methyl-1-(3-piperidin-3-yl-propyl)-1H-benzoimidazole; compound with 2-(4 PubChem CID 10577677
Cc1ccc2c(c1)nc(COc1ccc(Cl)cc1)n2CCCC1CCCNC1 -
N-Methyl-3-phenyl-3-(m-tolyloxy)propan-1-amine hydrochloride; Benzenepropanamine, N-methyl-? CAS 873310-28-2 PubChem CID 11716258
CNCCC(Oc1cccc(C)c1)c1ccccc1.Cl -
Piperidinium, 1-[(2ss,3a,5a,16ss,17ss)-17-(acetyloxy)-3-hydroxy-2-(1-piperidinyl)androstan-16-yl]-1-methyl CAS 73319-13-8 PubChem CID 11849103
CC(=O)O[C@H]1[C@@H]([N+]2(C)CCCCC2)C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H](N5CCCCC5)C[C@]4(C)[C@H]3CC[C@@]21C.[Br-] -
Benzenemethanol, a-[[(1,1-dimethylethyl)amino]methyl]-4-hydroxy-3-(methoxymethyl)-; Benzyl alcohol, a CAS 18910-70-8 PubChem CID 12498925
COCc1cc(C(O)CNC(C)(C)C)ccc1O -
3-Methyladamantan-1-amine Hydrochloride; Tricyclo[3.3.1.13,7]decan-1-amine, 3-methyl-, hydrochloride CAS 33103-93-4 PubChem CID 12910657
CC12CC3CC(C1)CC(N)(C3)C2.Cl -
(1S,5S)-2,6-dimethyl-2-(3-methylbut-2-en-1-yl)-4-(p-tolyl)-3-oxabicyclo[3.3.1]non-6-ene compound with PubChem CID 16396427
C=C1CC[C@H]2C[C@@H]1C(c1ccc(C)cc1)OC2(C)CC=C(C)C.CC(C)=CCC1(C)OC(c2ccc(C)cc2)[C@H]2C[C@@H]1CC=C2C -
2H-Pyrido[4,3-e]-1,2,4-thiadiazin-3(4H)-one, 4-(3-methylphenyl)-, 1,1-dioxide; 4-(3-Methylphenyl)-2H-pyrido CAS 72810-61-8 PubChem CID 29984242
Cc1cccc(N2C(=O)NS(=O)(=O)c3cnccc32)c1 -
N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfinyl]-2-hydroxy-2-methylpropanamide; Propanamide CAS 945419-64-7 PubChem CID 42604713
CC(O)(CS(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1