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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17-chloro-5,13,14,22-tetramethyl-28-oxa-2,9-dithia-5,6,12,13,22-pentaazaheptacyclo[27.7.1.1?,?.0(1)(1),(1)?.0(1)?,(2)(1).0(2)?,(2)?.0(3)?,(3)?]octatriaconta-1(36),4(38),6,11,14,16(21),17,19,23,29(37),30,32,34-tridecaene-23-carboxylic acid CAS 2143061-81-6 PubChem CID 131634760
Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13 -
4,7-Dichloroquinoline; Quinoline, 4,7-dichloro-; NSC 593; Chloroquine Related Compound A; Hydroxychloroquine Sulfate Impurity G; Hydroxychloroquine Impurity G CAS 86-98-6 PubChem CID 6866
Clc1ccc2c(Cl)ccnc2c1 -
c1ccc(Nc2ccccn2)nc1 -
Ketoprofen Imp. F (EP); Ketoprofen USP Related Compound F; Ketoprofen USP RC F; (2RS)-2-(3-Benzoylphenyl)propanenitrile; Ketoprofen Related Compound F; Ketoprofen Impurity F CAS 42872-30-0 PubChem CID 39325
CC(C#N)c1cccc(C(=O)c2ccccc2)c1 -
Nicotine Imp. D (EP); Nicotine USP Related Compound D; Nicotine USP RC D; Pyridine, 3-(3,4-dihydro-2H-pyrrol-5-yl)-; Pyridine, 3-(1-pyrrolin-2-yl)- (6CI,7CI,8CI); 2-(3-Pyridyl)-1-pyrroline; Myosmine; Nicotine Related Compound D; Nicotine Impurity D CAS 532-12-7 PubChem CID 442649
c1cncc(C2=NCCC2)c1 -
Nevirapine Anhydrous Imp. A (EP); Nevirapine USP Related Compound A; Nevirapine USP RC A; 11-Ethyl-4-methyl-5,11-dihydro-6H-dipyrido [3,2-b:2',3'-e][1,4]diazepin-6-one; Nevirapine Related Compound A; Nevirapine Impurity A CAS 133627-17-5 PubChem CID 453331
CCN1c2ncccc2C(=O)Nc2c(C)ccnc21 -
InChI=1/C16H20ClN3O2S/c1-19-11-5-6-12-16(23-10-9-20(12)8-7-17)15(11)18-13(19)3-2-4-14(21)22/h5-6H,2-4,7-10H2,1H3,(H,21,22 CAS 191939-34-1 PubChem CID 639416
Cn1c(CCCC(=O)O)nc2c3c(ccc21)N(CCCl)CCS3 -
Benzeneacetamide, N-[(1S)-2-[[(3S)-2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl]amino]-1-methyl-2-oxoethyl]-3,5-difluoro- CAS 209986-17-4 PubChem CID 11306390
C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O -
2-(((3,5-difluorophenyl)acetyl)amino)-n-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1h-1,4-benzodiazepin-3-yl)propanamide CAS 209986-17-4 PubChem CID 22312320
CC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)NC1N=C(c2ccccc2)c2ccccc2N(C)C1=O -
Cyclohexaneacetic acid, 1-[(3-oxo-2-azaspiro[4.5]dec-2-yl)methyl]-; [1-[(3-oxo-2-azaspiro[4.5]dec-2-yl)methyl]cyclohexyl]acetic acid; Gabapentin Imp. D (EP); Gabapentin RC D (USP); [1-[(3-Oxo-2-azaspiro[4.5]dec-2-yl)methyl]cyclohexyl]acetic Acid CAS 1076198-17-8 PubChem CID 29980616
O=C(O)CC1(CN2CC3(CCCCC3)CC2=O)CCCCC1 -
US20240262835, Compound 11 PubChem CID 172101281
CN(C(=O)c1ccc2nc(N)c3cncn3c2c1)C1COc2cc(C(F)(F)F)ccc21 -
(19S)-19-hydroxy-19-(1,1,2,2,2-pentadeuterioethyl)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione CAS 7689-03-4 PubChem CID 2538
CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 -
(5R,8R,9S,10S,13S,14S,16R)-16-fluoro-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one CAS 112859-74-2 PubChem CID 188695
C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)[C@H](F)C[C@@H]12 -
(1S,4S,5R,9S,10R,13R,14S)-14-hydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid CAS 3301-61-9 PubChem CID 5088391
CC1(C(=O)O)CCCC2(C)C3CCC4CC3(CCC12)CC4(O)CO -
(1R,3aS,3bS,9aS,11aS)-1-hydroxy-1-(2-hydroxyacetyl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-7-one CAS 10184-70-0 PubChem CID 7074810
C[C@]12CCC(=O)C=C1CC[C@@H]1C2=CC[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO -
[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-hydroxy-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-2-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate CAS 74041-85-3 PubChem CID 11849104
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 -
1-[(1R,2S,3aS,3bR,5aS,7S,8S,9aS,9bS,11aS)-7-(acetyloxy)-1-hydroxy-9a,11a-dimethyl-8-(piperidin-1-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-2-yl]-1-methylpiperidin-1-ium CAS 784988-81-4 PubChem CID 14029406
CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)[C@@H]([N+]5(C)CCCCC5)C[C@@H]34)[C@@]2(C)C[C@@H]1N1CCCCC1 -
C[C@]12C[C@H](N3CCOCC3)[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)[C@@H](N3CCCC3)C[C@@H]12 -
1-((3S,5S,8R,9S,10S,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta(a)phenanthren-17-yl)-2-hydroxyethanone CAS 516-47-2 PubChem CID 20054822
C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO -
Ibogamine-18-carboxylic acid, 12-methoxy-13-[(3.alpha.)-17-methoxy-17-oxovobasan-3-yl]-, methyl ester CAS 3371-85-5 PubChem CID 20056727
C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cc4[nH]c5c(c4cc3OC)CCN3C[C@@H]4C[C@H](CC)[C@H]3[C@@]5(C(=O)OC)C4)C[C@@H]1[C@@H]2C(=O)OC