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。
-
COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341.COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341.O.O=P(O)(O)O.O=P(O)(O)O -
(2S)-2-[(3S,5aS,9aS,10aS)-3-methyl-1,4-dioxo-5a,6,7,8,9,9a,10,10a-octahydro-3H-pyrazino[1,2-a]indol-2-yl]pentanoic acid CAS 129970-99-6 PubChem CID 68524696
CCC[C@@H](C(=O)O)N1C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[C@@H]1C -
Cc1ccc(C(=O)O)cc1N -
N-[[cis-4-(1-Methylethyl)cyclohexyl]carbonyl]-D-phenylalanine (Nateglinide Impurity) CAS 105816-04-4 PubChem CID 5311309
CC(C)C1CCC(C(=O)N[C@H](Cc2ccccc2)C(=O)O)CC1 -
Ertugliflozin L-pyroglutamic Acid (1:1); L-Proline, 5-oxo-, compd. with 1,6-anhydro-1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-5-C-(hydroxymethyl)-ss-L-idopyranose (1:1); 1,6-Anhydro-1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-5-C-(hydroxymethyl)-ss-L-idopyranose 5-oxo-L-proline; Ertuglif CAS 1210344-83-4 PubChem CID 57339449
CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1.O=C1CC[C@@H](C(=O)O)N1 -
(2S,3aR,7aS)-1-((S)-2-(((S)-4-Cyclohexyl-1-ethoxy-1-oxobutan-2-yl)amino)propanoyl)octahydro-1H-indole-2-carboxylic Acid; Trandolapril EP Impurity C PubChem CID 76966330
CCOC(=O)[C@H](CCC1CCCCC1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21 -
ETHYL (13AS,13BS)-13A-ETHYL-10-METHOXY-2,3,5,6,13A,13B-HEXAHYDRO-1H-INDOLO(3,2,1-DE)PYRIDO(3,2,1-IJ)(1,5)NAPHTHYRIDINE-12-CARBOXYLATE CAS 70155-05-4 PubChem CID 76969030
CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c(n1c1ccc(OC)cc41)[C@@H]32 -
Ergoline-1,8-dicarboxamide, N8-[3-(dimethylamino)propyl]-N1-ethyl-N8-[(ethylamino)carbonyl]-6-(2-propen-1-yl)-, (8ss)-; (6aR,9R,10aR)-7-allyl-N9-[3-(dimethylamino)propyl]-N4-ethyl-N9-(ethylcarbamoyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-4,9-dicarboxamide; N1-Ethylcarbamoyl Cabergoline CAS 126554-50-5 PubChem CID 14380974
C=CCN1C[C@H](C(=O)N(CCCN(C)C)C(=O)NCC)C[C@@H]2c3cccc4c3c(cn4C(=O)NCC)C[C@H]21 -
N#CN=C(N)N -
USP Bupropion Related Compound F; 1-(3-Chlorophenyl)-1-hydroxy-2-propanone; 1-(m-Chlorophenyl)-1-hydroxy-2-propanone CAS 857233-13-7 PubChem CID 10012623
CC(=O)C(O)c1cccc(Cl)c1 -
9(10H)-Acridinone; 9-Acridanone (6CI,8CI); 9(10H)-Acridone; 9-Acridone; Acridanone; Acridin-9-one; Acridine, 9,10-dihydro-9-oxo-; Acridone; CK 103; CK 103 (heterocycle); NSC 408196; NSC 7664 CAS 578-95-0 PubChem CID 2015
O=c1c2ccccc2[nH]c2ccccc12 -
[3,4'-Bipyridine]-5-carbonitrile,1,6-dihydro-6-oxo-, hydrobromide (1:1) CAS 62749-26-2 PubChem CID 131989
N#Cc1cc(-c2ccncc2)c[nH]c1=O -
1-(3,5-dimethylphenoxy)-3-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]propan-2-ol CAS 805972-34-3 PubChem CID 118989488
Cc1cc(C)cc(OCC(O)CNCC(O)COc2cc(C)cc(C)c2)c1 -
4-(4-((5-(4,5-dimethyl-2-nitrophenyl)-2-furanyl)methylene)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzoic acid CAS 328968-36-1 PubChem CID 2871948
CC1=NN(c2ccc(C(=O)O)cc2)C(=O)C1=Cc1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1 -
2-((8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl propionate CAS 5740-62-5 PubChem CID 10047529
CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C -
Pyrazolo[1,5-a]pyrimidine, 6-[4-[2-(1-piperidinyl)ethoxy]phenyl]-3-(4-pyridinyl)-, hydrochloride (1:2) CAS 1219168-18-9 PubChem CID 49761481
Cl.Cl.c1cc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)ccn1 -
1H-Pyrazolo[3,4-c]pyridine-3-carboxamide, N-formyl-4,5,6,7-tetrahydro-1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxo-1-piperidinyl)phenyl]- CAS 1351611-14-7 PubChem CID 56956412
COc1ccc(-n2nc(C(=O)NC=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1 -
6-?[4-?[(5-?Bromo-?1-?oxopentyl)?amino]?phenyl]?-?4,?5,?6,?7-?tetrahydro-?1-?(4-?methoxyphenyl)?-?7-?oxo-1H-?pyrazolo[3,?4-?c]?pyridine-?3-?carboxylic Acid? Ethyl Ester CAS 881386-12-5 PubChem CID 71651095
CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c1CCN(c1ccc(NC(=O)CCCCBr)cc1)C2=O -
2,1,3-Benzothiadiazol-4-amine, 5-chloro-; 2,1,3-Benzothiadiazole, 4-amino-5-chloro- (6CI,7CI,8CI); 5-Chloro-4-amino-2,1,3-benzothiadiazole; Tizanidine Related Compound A; Tizanidine Hydrochloride Impurity E; Tizanidine Impurity E CAS 30536-19-7 PubChem CID 771620
Nc1c(Cl)ccc2nsnc12 -
Cc1cnc2c(S(=O)(=O)N[C@@H](CCCN=C(N)N[N+](=O)[O-])C(=O)N3CC[C@@H](C)C[C@@H]3C(=O)O)cccc2c1