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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CCOC(=O)C(C#N)=CNc1[nH]ncc1C(=O)OCC -
(8r,9s,10r,13s,14s,17r)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,13,14,17-dodecahydro-3h-cyclopenta[a]phenanthren-3-one-(8r,9s,13s,14s,17r)-17-ethynyl-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6h-cyclopenta[a]phenanthrene-3,17-diol(1:1)(non-preferred name) CAS 109852-02-0 PubChem CID 67387
C#C[C@]1(O)C=C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC.C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C -
Propafenone Related Compound B (50 mg) ((2E)-1-[2-[(2RS)-2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylprop-2-en-1-one) CAS 88308-22-9 PubChem CID 71315335
CCCNCC(O)COc1ccccc1C(=O)/C=C/c1ccccc1 -
[4-(6-Amino-pyridazin-3-yl)- piperidin-1-yl]-[5-(4-fluoro-phenoxy)- 4-methoxy-pyridin-2-yl]-methanone CAS 2311863-36-0 PubChem CID 138674835
COc1cc(C(=O)N2CCC(c3ccc(N)nn3)CC2)ncc1Oc1ccc(F)cc1 -
[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Pr].[Pr] -
(1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,14,17-trihydroxy-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10,14-tetraene-15-carboxamide CAS 916072-89-4 PubChem CID 54732242
CC(C)(NC(=O)C1=C(O)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@]3(O)C1)c1nc(-c2ccccc2)no1 -
Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, (11.beta.,16.beta.)-, compound with N,N'-bis(phenylmethyl)-1,2-ethanediamine (1:1) CAS 40006-49-3 PubChem CID 56842499
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O.c1ccc(CNCCNCc2ccccc2)cc1 -
[(2R,5S,8R,9S,10S,13S,14S,17S)-2,10,13-trimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] propanoate CAS 521-12-0 PubChem CID 3170
CCC(=O)OC1CCC2C3CCC4CC(=O)C(C)CC4(C)C3CCC12C -
Cc1ccccc1N.Cl -
(5E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]-5-Heptenoic acid 1-methylethyl ester; (5E)-Latanoprost; 5,6-trans-Latanoprost; Latanoprost Related Compound A (USP) CAS 913258-34-1 PubChem CID 5282380
CC(C)OC(=O)CCC/C=C/C[C@@H]1[C@@H](CC[C@@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1O -
2-[[5-[3-(4-chlorophenoxy)prop-1-ynyl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid CAS 1842340-93-5 PubChem CID 129027150
O=C(O)CNC(=O)c1ncc(C#CCOc2ccc(Cl)cc2)cc1O -
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 -
S=c1[nH]c2ccccc2[nH]1 -
4-methoxy-N-((1R,2R)-2-(1-(naphthalen-1-yl)ethylamino)cyclohexyl)benzenesulfonamide hydrochloride PubChem CID 44415153
COc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2NC(C)c2cccc3ccccc23)cc1 -
(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl benzoate CAS 28956-89-0 PubChem CID 119845
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(OC(=O)c1ccccc1)C(=O)CO -
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 -
Metoclopramide Imp. B (EP); Metoclopramide USP Related Compound B; Metoclopramide USP RC B; Methyl 4-(Acetylamino)-5-chloro-2-methoxybenzoate; Metoclopramide Related Compound B; Metoclopramide Hydrochloride Monohydrate Impurity B; Metoclopramide Impurity B CAS 4093-31-6 PubChem CID 77721
COC(=O)c1cc(Cl)c(NC(C)=O)cc1OC -
[(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 -
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 -
Hexane-1,2,3,4,5,6-hexol;methyl 13-(10-carbamoyl-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl)-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate;sulfuric acid CAS 59917-39-4 PubChem CID 429016
CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(N)=O)C(O)C5(CC)C=CCN6CCC43C65)C2)C1.O=S(=O)(O)O.OCC(O)C(O)C(O)C(O)CO