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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3-(5-methoxy-2-{(1E)-2-[(Z)-(5-methoxy-3-(3-sulfopropyl)-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-butenyl PubChem CID 126959862
CCC(/C=C1\Sc2ccc(OC)cc2N1CCCS(=O)(=O)O)=C\c1sc2cc(OC)c3ccsc3c2[n+]1CCCS(=O)(=O)O.CCN(CC)CC -
1-(1-(2,6-difluorobenzyl)-1H-pyrrol-3-yl)-2-phenylethan-1-one (Compound 2) & 1-(1-(2,6-difluorobenzyl PubChem CID 164595791
O=C(c1ccn(Cc2c(F)cccc2F)c1)C(Cc1c(F)cccc1F)c1ccccc1 -
A (EP); Capecitabine Related Compound A (USP); Capecitabine USP Related Compound A; Capecitabine USP CAS 66335-38-4 PubChem CID 10037499
C[C@H]1O[C@@H](n2cc(F)c(N)nc2=O)[C@H](O)[C@@H]1O -
7-[4-[4-(2,3-Dichlorophenyl)piperazin-1-yl]butoxy]quinolin-2(1H)-one; Dehydroaripiprazole; Aripiprazole CAS 129722-25-4 PubChem CID 10114519
O=c1ccc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2[nH]1 -
3'-N-[[4-(acetylamino)phenyl]sulfonyl]-3'-N-demethylazithromycin; Azithromycin Related Compound H (USP CAS 612069-30-4 PubChem CID 71312817
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)S(=O)(=O)c3ccc(NC(C)=O)cc3)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O -
5-[Bis(2-hydroxyethyl)amino]-1-methyl-1H-benzimidazole-2-butanoic Acid Ethyl Ester; [1-Methyl-5-bis(2 CAS 3543-74-6 PubChem CID 13086945
CCOC(=O)CCCc1nc2cc(N(CCO)CCO)ccc2n1C -
(E)-3-(2-((4-((S)-2-(4-chlorophenyl)benzo[d][1,3]dioxol-4-yl)piperidin-1-yl)methyl)-1-(((S)-oxetan-2- PubChem CID 168072821
C/C(=C\c1cnc(CN2CCC(c3cccc4c3O[C@H](c3ccc(Cl)cc3)O4)CC2)n1C[C@@H]1CCO1)C(=O)O -
(E)-3-(2-((4-(2-(4-chloro-2-fluorophenyl)-2-methylbenzo[d][1,3]dioxol-4-yl)piperidin-1-yl)methyl)-1-( PubChem CID 168817211
CC1(c2ccc(Cl)cc2F)Oc2cccc(C3CCN(Cc4nc(/C=C/C(=O)O)cn4Cc4ccno4)CC3)c2O1 -
C (EP); Adrenalone Hydrochloride; 1-(3,4-Dihydroxyphenyl)-2-(methylamino)ethanone Hydrochloride; Adrenaline CAS 62-13-5 PubChem CID 66136
CNCC(=O)c1ccc(O)c(O)c1.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 -
Methanaminium, N-[2-chloro-3-(dimethylamino)-2-propen-1-ylidene]-N-methyl-, hexafluorophosphate(1-) ( CAS 249561-98-6 PubChem CID 74890630
CN(C)C=C(Cl)C=[N+](C)C.F[P-](F)(F)(F)(F)F -
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-] -
alpha-Methylbenzeneethanol, alpha-Methylphenethyl alcohol; (+/-)-1-Phenylpropan-2-ol; (+/-)-alpha-Methylbenzeneethanol CAS 698-87-3 PubChem CID 94185
CC(O)Cc1ccccc1 -
(3aR,5aR,9S,13S,14R,16aS,16bR)-13-(((2R,5S,6R)-5-(Dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl)oxy CAS 935545-74-7 PubChem CID 53297414
CCO[C@@H]1[C@@H](OC)[C@H](C)O[C@@H](OC2C[C@H]3CC[C@H]4C5CC(=O)O[C@@H](CC)CCC[C@H](O[C@H]6CC[C@H](N(C)C)[C@@H](C)O6)[C@@H](C)C(=O)C5=C[C@H]4[C@@H]3C2)[C@@H]1OC -
Chromate(1-), [2,4-dihydro-4-[(2-hydroxy-5-nitrophenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)] CAS 83949-55-7 PubChem CID 91844571
Cc1nn(-c2ccccc2)c(=O)[c-]1N=Nc1cc([N+](=O)[O-])ccc1O.Cc1nn(-c2ccccc2)c(=O)[c-]1N=Nc1ccccc1C(=O)O.NCCO.[Cr].[H+] -
(1S,2S)N-[8-amino-6-(4-methylpyridin-3-yl)-2,7-naphthyridin-3-yl]-2-[1-[2-(2-aminoethoxy)ethyl] PubChem CID 135344420
Cc1ccncc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cnn(CCOCCN)c3)ncc2c(N)n1 -
(1S,2S)N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-[1-[2-(2-aminoethoxy)ethyl]-1H-pyrazol PubChem CID 135344812
NCCOCCn1cc([C@@H]2C[C@H]2C(=O)Nc2cc3cc(-c4c(Cl)cccc4Cl)nc(N)c3cn2)cn1 -
Synthesis of ((R)-1-((R)-3-(1-methyl-1H-Imidazol-2-yl)-2-(pyrazine-2-carboxamido) propanamido)-4-phenylbutyl PubChem CID 168920297
Cn1ccnc1C[C@H](NC(=O)c1cnccn1)C(=O)N[C@@H](CCCc1ccccc1)B(O)O -
Synthesis of ((R)-3-methyl-1-((R)-3-(1-methyl-1H-Imidazol-2-yl)-2-(pyrazine-2-carboxamido)propanamido PubChem CID 168920300
CC(C)C[C@H](NC(=O)[C@H](Cc1nccn1C)NC(=O)c1cnccn1)B(O)O -
B (EP); Cromolyn USP Related Compound B; Cromolyn USP RC B; Diethyl 5,5'-[(2-hydroxypropane-1,3-diyl) CAS 16150-45-1 PubChem CID 204318
CCOC(=O)c1cc(=O)c2c(OCC(O)COc3cccc4oc(C(=O)OCC)cc(=O)c34)cccc2o1