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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CC1(C)C[C@@H]2CN1c1nc(-n3ccc(OCCC4(C(F)(F)F)CC4)n3)ccc1C(=O)NS(=O)(=O)c1ccn(n1)CCO2 -
(3R)-5,5-difluoro-16-(1-isopropylpiperidin-4-yl)-3- methyl-17,18-dihydro-2-aza-1(4,8)-pyrido[2,3- d]pyrimidina-8(4,1)-piperidina-4(1,3)- benzenacyclotridecaphan-17-one PubChem CID 169313535
CC(C)N1CCN(c2cc3c4ncnc3n(c2=O)CCCCCN2CCC(CC2)CCC(F)(F)c2cccc(c2)[C@@H](C)N4)CC1 -
CC(Oc1nc2c3c(c(Cl)c(-c4cccc5sc(N)c(C#N)c45)c(F)c3n1)OC[C@@H]1[C@@H]3CC[C@H](CN21)N3)[C@@]12CCCN1C[C@H](F)C2 -
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 -
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 -
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 -
[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-hydroxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate;dibromide CAS 41261-71-6 PubChem CID 14029392
CC(=O)OC1C([N+]2(C)CCCCC2)CC2C3CCC4CC(O)C([N+]5(C)CCCCC5)CC4(C)C3CCC21C.[Br-].[Br-] -
(1R)-1-hydroxy-1-(2-hydroxyacetyl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one CAS 152-58-9 PubChem CID 9050
CC12CCC(=O)C=C1CCC1C2CCC2(C)C1CC[C@]2(O)C(=O)CO -
1,3-Dimethyladamantane; Memantine Related Compound A (USP); Memantine Related Compound A CAS 702-79-4 PubChem CID 12800
CC12CC3CC(C1)CC(C)(C3)C2 -
C=C1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC(=C)[C@]3(OC(C)=O)C(C)=O)[C@@]2(C)CCC(=O)C=C12 -
Valsartan Methyl Ester; Valsartan Related Compound E (USP); N-Valeryl-N-{[2'-(1H-tetrazole-5-yl)biphenyl-4-yl]methyl}-L-valine methyl ester; Valsartan Related Compound E CAS 137863-17-3 PubChem CID 11561462
CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)[C@H](C(=O)OC)C(C)C -
N-(4-Sulfonatobutyl)-N,N-dimethyl-9-phenylnonane-1-aminium PubChem CID 10475079
C[N+](C)(CCCCCCCCCc1ccccc1)CCCCS(=O)(=O)[O-] -
3-(2-{[1,1'-biphenyl]-4-yl}ethyl)-1-azabicyclo[2.2.2]octane PubChem CID 19077556
c1ccc(-c2ccc(CCC3CN4CCC3CC4)cc2)cc1 -
C=C(C)[C@@H]1CC[C@]2(NCCN3CCS(=O)(=O)CC3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CC[C@@](CF)(C(=O)O)CC6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 -
Pregna-4,6-diene-3,20-dione; Dydrogesterone Imp. B (EP); Delta6-Progesterone; Progesterone Imp. H (EP); Progesterone Related Compound H; Dydrogesterone Impurity B; Progesterone Impurity H CAS 1162-56-7 PubChem CID 101994
CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C -
(+/-)-Voriconazole; (aR,ssS)-rel-a-(2,4-Difluorophenyl)-5-fluoro-ss-methyl-a-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol; (R*,S*)-a-(2,4-Difluorophenyl)-5-fluoro-ss-methyl-a-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol; (+/-)-Voriconazole; (2RS,3SR)-2-(2,4-Difluorophen CAS 137234-62-9 PubChem CID 71616
C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F -
3-Methyl-1-phenyl-2-pyrazolin-5-one, 98%, a strong novel free radical scavenger - 100G 100g CAS 89-25-8 PubChem CID 4021
CC1=NN(c2ccccc2)C(=O)C1 -
(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 -
Benz(g)indolo(2,3-a)quinolizine-1-carboxylic acid, 1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydro-3-hydroxy-2,11-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate CAS 50-55-5 PubChem CID 5052
COC(=O)C1C2CC3c4[nH]c5cc(OC)ccc5c4CCN3CC2CC(OC(=O)c2cc(OC)c(OC)c(OC)c2)C1OC -
Pregna-4,6-diene-3,20-dione, 17-hydroxy-6-methyl-; 17-Hydroxy-6-methylpregna-4,6-diene-3,20-dione; Megestrol; 6-Methyl-17-hydroxypregna-4,6-diene-3,20-dione CAS 3562-63-8 PubChem CID 19090
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C