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。
-
3-(4-chlorophenyl)-3-pyridin-2-yl-N,N-bis(trideuteriomethyl)propan-1-amine CAS 1185054-60-7 PubChem CID 45038670
[2H]C([2H])([2H])N(CCC(c1ccc(Cl)cc1)c1ccccn1)C([2H])([2H])[2H] -
1-(4-Fluorophenyl)-1,3-dihydro-1-[3-(methyl-d3-amino)propyl]-5-isobenzofurancarbonitrile CAS 1189490-71-8 PubChem CID 45038797
[2H]C([2H])([2H])NCCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 -
(2S)-2-amino-5-[[(2R)-1-(hydroxycarbonyl(113C)methyl(15N)amino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid CAS 815610-65-2 PubChem CID 45039351
N[C@@H](CCC(=O)N[C@@H](CS)C(=O)[15NH][13CH2][13C](=O)O)C(=O)O -
2-N,2-N,4-N,4-N,6-N,6-N-hexadeuterio-1,3,5-triazine-2,4,6-triamine CAS 13550-89-5 PubChem CID 45039688
[2H]N([2H])c1nc(N([2H])[2H])nc(N([2H])[2H])n1 -
[2H]C1([2H])CCN(C)C1c1cccnc1 -
2-(Hydroxymethyl)-4-{1-hydroxy-2-[(2-methyl-2-propanyl)amino]ethy l}phenyl hydrogen sulfate CAS 63908-03-2 PubChem CID 46780103
CC(C)(C)NCC(O)c1ccc(OS(=O)(=O)O)c(CO)c1 -
1,2-Dihydro-5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-2,7-(epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan-8-carboxaldehyde CAS 16783-97-4 PubChem CID 46781649
CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=O)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@@H]1C -
4-[(2S)-2-Hydroxy-3-[(1-methylethyl)amino]propoxy]-1-naphthalenol Hydrobromide;(-)-4-Hydroxypropranolol Hydrobromide CAS 135201-50-2 PubChem CID 46781877
CC(C)NC[C@H](O)COc1ccc(O)c2ccccc12.Cl -
(3S,4R)-3-Ethyldihydro-4-[[1-(methyl-d3)-1H-imidazol-5-yl]methyl]-2(3H)-furanone Hydrochloride; (+)-Pilocarpine-d3 Hydrochloride; Adsorbocarpine-d3; Almocarpine-d3; Isopto Carpine-d3; NSC 5746-d3; Pilocar-d3; Pilocar SMP-d3; Pilocarpal-d3; Pilocarpine Chloride-d3; CAS 1217838-88-4 PubChem CID 46782754
Cl.[2H]C([2H])([2H])n1cncc1C[C@H]1COC(=O)[C@H]1CC -
[2H]C1([2H])NC([2H])(C([2H])(C(=O)O)c2ccccc2)C([2H])([2H])C([2H])([2H])C1([2H])[2H] -
2-NAPHTHACENECARBOXAMIDE, 9-AMINO-4-(DIMETHYLAMINO)-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-, (4S-(4.ALPHA.,4A.ALPHA.,5A.ALPHA.,12A.ALPHA.))- CAS 5874-95-3 PubChem CID 54688693
CN(C)[C@@H]1C(=O)C(C(N)=O)=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(ccc(N)c4O)C[C@H]3C[C@@H]12 -
(4S,4aS,5aR,12aR)-7-amino-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;dihydrochloride CAS 95940-02-6 PubChem CID 57369931
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.Cl.Cl -
(Z)-2-(11-(3-(Dimethylamino)propylidene)-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetaldehyde CAS 1376615-97-2 PubChem CID 58036923
CN(C)CC/C=C1/c2ccccc2COc2ccc(CC=O)cc21 -
Br.NC(N)=Nc1nc(CBr)cs1 -
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N[C@@H]3C(=O)N4C(C(=O)[O-])=C(C[N+]5(C)CCCC5)CS[C@H]34)=C(C[N+]3(C)CCCC3)CS[C@H]12)c1csc(N)n1 -
(3R,5RS,6RS)-6-(3-Chlorophenyl)-6-hydroxy-5-methyl-3-thiomorpholine Carboxylic Acid(Bupropion Impurity) CAS 1246812-57-6 PubChem CID 71314788
CC1N[C@H](C(=O)O)CSC1(O)c1cccc(Cl)c1 -
1-ss-D-Glucopyranuronosyl-3-[(2R)-1-methyl-5-oxo-2-pyrrolidinyl]pyridinium-d3 Inner Salt; (R)-(Cotinine-d3)-N-glucuronide; PubChem CID 71314994
[2H]C([2H])([2H])N1C(=O)CC[C@H]1c1ccc[n+]([C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)c1 -
N-Methyl-1-[3-[2-(trideuteriomethylamino)ethyl]-1H-indol-5-yl]methanesulfonamide CAS 1346600-79-0 PubChem CID 71315788
[2H]C([2H])([2H])NCCc1c[nH]c2ccc(CS(=O)(=O)NC)cc12 -
5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((4,5-dihydro-4-methyl-5-thioxo-1H-tetrazol-1-yl)methyl)-7-(((2R)-2-(((4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl)amino)-2-(4-hydroxyphenyl)acetyl)amino)-8-oxo-, (6R,7R)- CAS 711598-76-4 PubChem CID 71315826
CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(Cn4nnn(C)c4=S)CS[C@H]23)c2ccc(O)cc2)C(=O)C1=O -
2-[2-[Bis[2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]ethyl-[2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide CAS 1246816-47-6 PubChem CID 71316574
O=C(CN(CCN(CC(=O)NCCN1C(=O)C=CC1=O)CC(=O)NCCN1C(=O)C=CC1=O)CC(=O)NCCN1C(=O)C=CC1=O)NCCN1C(=O)C=CC1=O