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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2-[(2,3-Dichlorophenyl)methylene]-3-oxobutanoic Acid Methyl Ester; Methyl 2-(2,3-Dichlorobenzylidine)acetoacetate; CAS 74073-22-6 PubChem CID 54242386
COC(=O)C(=Cc1cccc(Cl)c1Cl)C(C)=O -
[4S-(4|A,4a|A,5a|A,12a|A)]-7-Amino-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-2-naphthacenecarboxamide Dihydrochloride CAS 5679-00-5 PubChem CID 54676743
CN(C)[C@@H]1C(=O)C(C(N)=O)=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)ccc(N)c4C[C@H]3C[C@@H]12 -
C[C@@H]1c2cccc(O)c2C(O)=C2C(=O)[C@]3(O)C(O)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21 -
(4S,4aS,5aR,12aS)-4,7-Bis(dimethylamino)-9-[[2-[(1,1-dimethylethyl)amino]acetyl]amino]-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-2-naphthacenecarboxamide; Tygacil; WAY-GAR 936; Glycylcycline; CAS 220620-09-7 PubChem CID 54686904
CN(C)c1cc(NC(=O)CNC(C)(C)C)c(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(=O)C(C(N)=O)=C(O)[C@@]3(O)C(=O)C1=C2O -
2-((2R)-3,4-Dihydroxy-5-oxo-2,5-dihydrofuran-2-yl)-2-hydroxyacetic acid, (2R)- CAS 66757-69-5 PubChem CID 54707215
O=C1O[C@H]([C@@H](O)C(=O)O)C(O)=C1O -
3-[[4-Carbamoyl-2-(dimethylamino)-3,6-dihydroxy-5-oxo-3-cyclohexen-1-yl]hydroxymethyl]-1,8-dihydroxy-4-methyl-2-naphthoic Acid ?-Lactone; Apooxytetracycline CAS 18751-99-0 PubChem CID 54710410
Cc1c2c(c(O)c3c(O)cccc13)C(=O)OC2C1C(O)C(=O)C(C(N)=O)=C(O)C1N(C)C -
(4S,4aS,5aR,12aS)-4-(Dimethylamino)-3,10,12,12a-tetrahydroxy-7-(methylamino)-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide CAS 4708-96-7 PubChem CID 54739048
CNc1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(=O)C(C(N)=O)=C(O)[C@@]3(O)C(=O)C1=C2O -
2-NAPHTHACENECARBOXAMIDE, 4-(DIMETHYLAMINO)-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-3,10,12,12A-TETRAHYDROXY-9-(METHYLAMINO)-1,11-DIOXO-, (4S,4AS,5AR,12AS)- CAS 4769-39-5 PubChem CID 54741668
CNc1ccc2c(c1O)C(O)=C1C(=O)[C@]3(O)C(O)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3C[C@@H]1C2 -
[2H]C([2H])([2H])C(=O)Nc1ccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1 -
2-Azetidinebutanoic-alpha-14C acid, alpha-diazo-3-(1-hydroxyethyl)-gamma-methyl-beta,4-dioxo-, (4-nitrophenyl)methyl ester, [2R-[2alpha(R*),3beta(R*)]]- (9CI) CAS 137391-68-5 PubChem CID 57009450
C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)C(=[N+]=[N-])C(=O)OCc1ccc([N+](=O)[O-])cc1 -
11b-11,17,21-Trihydroxy-pregna-1,4-diene-3,20-dione-d8; Metacortandralone-d8; Delta F-d8; Hydrocortisone-d8; Hydroretrocortine-d8; Codelcortone-d8; Decaprednil-d8; Predonine-d8; PubChem CID 57347683
[2H]C1=C[C@@]2(C)C(=C([2H])C1=O)C([2H])([2H])CC1[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C([2H])([2H])[C@]([2H])(O)[C@@]12[2H] -
7-[(4aS,7aS)-5,5,7,7-tetradeuterio-1,2,3,4,4a,7a-hexahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;hydrochloride CAS 1217802-65-7 PubChem CID 57347710
Cl.[2H]C1([2H])[C@@H]2CCCN[C@@H]2C([2H])([2H])N1c1c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c2c1OC -
Ethanone, 1-(3,5-dihydroxyphenyl)-2-[(1,1-dimethylethyl)(phenylmethyl)amino]-; 2-[Benzyl-(1,1-dimethylethyl)amino]-1-(3,5-dihydroxyphenyl)ethanone; 2-[Benzyl(tert-butyl)amino]-1-(3,5-dihydroxyphenyl)ethan-1-one CAS 94109-61-2 PubChem CID 57356512
CC(C)(C)N(CC(=O)c1cc(O)cc(O)c1)Cc1ccccc1 -
CS(=O)(=S)OCN -
4-[(2S)-2-Amino-3-hydroxy-3-oxopropyl]-N,N-bis(2-chloro-1,1,2,2-tetradeuterioethyl)benzeneamine oxide CAS 1217715-34-8 PubChem CID 57369288
[2H]C([2H])(Cl)C([2H])([2H])[N+]([O-])(c1ccc(C[C@H](N)C(=O)O)cc1)C([2H])([2H])C([2H])([2H])Cl -
2-[[(3|A,5|A,7|A)-3,7-dihydroxy-24-oxocholan-24-yl]amino]-ethanesulfonic Acid-d4 CAS 1207294-24-3 PubChem CID 57369414
[2H]C1([2H])C[C@@]2(C)[C@H](C[C@@H](O)[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCC(=O)NCCS(=O)(=O)O)CC[C@@H]32)C([2H])([2H])[C@@H]1O -
[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,4S,5R)-5-[(4S)-3-carbamoyl-4-deuterio-4H-pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate CAS 74784-45-5 PubChem CID 57369863
[2H]C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=C1C(N)=O -
D-Alanine, N-((S)-(((1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy)methyl)phenoxyphosphinyl)-, 1-methylethyl ester CAS 2053424-82-9 PubChem CID 60096636
CC(C)OC(=O)[C@@H](C)N[P@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)Oc1ccccc1 -
[2H]C([2H])([2H])C(CCC[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3/C[C@@H](O)CCC3=C)CCC[C@]12C)C([2H])([2H])[2H] -
Cl.Nc1ncc2[nH]cnc2n1