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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Decanoic-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-d19 acid, sodium salt (1:1) (ACI); Decanoic-d19 acid ( CAS 1086096-26-5 PubChem CID 162343654
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)[O-].[Na+] -
ITTP Hexasodium Salt; myo-Inositol Cyclic 1,2:3,4:5,6-Tris(dihydrogen pyrophosphate)) Hexasodium Salt CAS 23103-35-7 PubChem CID 162641008
O=P1([O-])OC2C3OP(=O)([O-])OP(=O)([O-])OC3C3OP(=O)([O-])OP(=O)([O-])OC3C2OP(=O)([O-])O1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+] -
Cy 3 MTSEA Potassium Salt; 2-?[3-?[1,?3-?Dihydro-?3,?3-?dimethyl-?1-?[6-?[[2-?[(methylsulfonyl)? CAS 1381807-52-8 PubChem CID 163284993
CCN1C(=C/C=C/C2=[N+](CCCCCC(=O)NCCSS(C)(=O)=O)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)[O-])ccc21.[K+] -
(2S,3R)-2-(Methyl-d3)-1,2,3,4-butanetetrol 4-(Dihydrogen Phosphate) Disodium Salt; 2-C-(Methyl-d3)-D-erythritol PubChem CID 163285504
[2H]C([2H])([2H])[C@](O)(CO)[C@H](O)COP(=O)([O-])[O-].[Na+].[Na+] -
phosphonooxy)phosphinyl]oxy]phosphinyl]-ss-D-ribofuranosyl]-2,4(1H,3H)pyrimidinedione Triethylamine Salt CAS 1175-34-4 PubChem CID 163285542
CCN(CC)CC.O=c1[nH]cc([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1 -
pyrimidin-5-yl]-2-hydroxy-N-methylethylsulfonamido}-6-isopropylpyrimidin-5-yl)-3,5-dihydroxyhept-6-enoate salt PubChem CID 166177188
CC(C)c1nc(N(C)S(=O)(=O)CC(O)c2c(-c3ccc(F)cc3)nc(N(C)S(C)(=O)=O)nc2C(C)C)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1nc(N(C)S(=O)(=O)CC(O)c2c(-c3ccc(F)cc3)nc(N(C)S(C)(=O)=O)nc2C(C)C)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2] -
sulfoindolin-2-ylidene)penta-1,3-dien-1-yl)-1-ethyl-3,3-dimethyl-3H-indol-1-ium-5-sulfonate Triethylamine Salt PubChem CID 168315449
CCN(CC)CC.CCN1C(=CC=CC=CC2=[N+](CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)[O-])ccc21 -
Cobinamide, Co-(5'-deoxyadenosin-5'-yl)-, f-(dihydrogen phosphate), inner salt, 3'-ester with (5,6-dimethyl CAS 13870-90-1 PubChem CID 168432540
CC1=C2[N-][C@H]([C@H](CC(N)=O)[C@@]2(C)CCC(=O)NC[C@@H](C)OP(=O)([O-])O[C@H]2[C@@H](O)[C@@H](n3cnc4cc(C)c(C)cc43)O[C@@H]2CO)[C@]2(C)N=C(C(C)=C3N=C(C=C4N=C1[C@@H](CCC(N)=O)C4(C)C)[C@@H](CCC(N)=O)[C@]3(C)CC(N)=O)[C@@H](CCC(N)=O)[C@]2(C)CC(N)=O.[CH2-][C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.[Co+3] -
Abiraterone N-oxide sulfate sodium salt; (3ss)-17-(1-Oxido-3-pyridinyl)androsta-5,16-dien-3-ol 3-(hydrogen PubChem CID 169432413
C[C@]12CC[C@H](OS(=O)(=O)[O-])CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(c3ccc[n+]([O-])c3)=CC[C@@H]12.[Na+] -
3,4-Dihydro-2-ss-D-ribofuranosyl-3-thioxo-1,2,4-triazin-5(2H)-one Sodium Salt; 2-ss-D-Ribofuranosyl-3 PubChem CID 169433811
[Na+].[O-]c1cnn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=S)n1 -
C)-, dihydrogen phosphate (ester), inner salt, 3'-ester with (5,6-dimethyl-1-a-D-ribofuranosyl-1H-benzimidazole CAS 38218-77-8 PubChem CID 169436785
CC1=C2[N-][C@H]([C@H](CC(N)=O)[C@@]2(C)CCC(=O)NC[C@@H](C)OP(=O)([O-])O[C@H]2[C@@H](O)[C@@H](n3cnc4cc(C)c(C)cc43)O[C@@H]2CO)[C@]2(C)N=C(C(C)=C3N=C(C=C4N=C1[C@@H](CCC(N)=O)C4(C)C)[C@@H](CCC(N)=O)[C@]3(C)CC(N)=O)[C@@H](CCC(=O)O)[C@]2(C)CC(N)=O.[C-]#N.[Co+3] -
-D-Glucopyranosiduronic Acid TEA Salt; Deoxynivalenol 15-O-glucuronide TEA Salt; Deoxynivalenol 15-O- PubChem CID 169437439
CC1=C[C@H]2O[C@@H]3[C@H](O)C[C@](C)([C@@]2(CO[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)C1=O)[C@]31CO1.CCN(CC)CC -
N-(3,3-Dimethylbutyl)-L-a-aspartyl-L-phenylalanine Disodium Salt; DMBAP Disodium Salt; USP Neotame Related PubChem CID 169438860
CC(C)(C)CCN[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-].[Na+].[Na+] -
)-5-(4-Amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3- oxathiolan-2-yl]methyl] Ester Triethylammonium Salt PubChem CID 169439740
CCN(CC)CC.Nc1nc(=O)n([C@@H]2CSC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)cc1F -
N-(4-Aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)-2-propenamide Trifluoroacetic Acid Salt; N-(4-Aminobutyl CAS 91000-11-2 PubChem CID 169440457
COc1cc(/C=C/C(=O)NCCCCN)ccc1O.O=C(O)C(F)(F)F -
, sodium salt (1:4); 2,2'-Stilbenedisulfonic acid, 4,4'-bis[[4-[bis(2-hydroxyethyl)amino]-6-(p-sulfoanilino CAS 16470-24-9 PubChem CID 169440656
O=S(=O)([O-])c1ccc(Nc2nc(Nc3ccc(/C=C/c4ccc(Nc5nc(Nc6ccc(S(=O)(=O)[O-])cc6)nc(N(CCO)CCO)n5)c(S(=O)(=O)[O-])c4)cc3S(=O)(=O)[O-])nc(N(CCO)CCO)n2)cc1.[Na+].[Na+].[Na+].[Na+] -
N-(1-Deoxy-D-fructos-1-yl)-L-valyl-L-histidine Sodium Salt; (S)-3-(1H-Imidazol-4-yl)-2-((S)-3-methyl- PubChem CID 169440824
CC(C)[C@H](NCC1(O)OC[C@@H](O)C(O)C1O)C(=O)NC(Cc1cnc[nH]1)C(=O)[O-].[Na+] -
Acid Mono(2,3-dihydroxypropyl) Mono[2-[(1-oxo-5,8,11,14-eicosatetraenyl)amino]ethyl] Ester Sodium Salt PubChem CID 169441025
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCOP(=O)([O-])OCC(O)CO.[Na+] -
GW 554869A TFA Salt; GW 69A TFA Salt; 3,3'-(1,4-Phenylene)bis[N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl PubChem CID 169441091
O=C(/C=C/c1ccc(/C=C/C(=O)Nc2ccc(C3=NCCN3)cc2)cc1)Nc1ccc(C2=NCCN2)cc1.O=C(O)C(F)(F)F -
(2S)-2-Hydroxypentanedioic Acid-d5; L-2-Hydroxyglutaric Acid Disodium Salt-d5; (S)-a-Hydroxyglutaric PubChem CID 169441846
[2H]C([2H])(C(=O)[O-])C([2H])([2H])[C@]([2H])(O)C(=O)[O-].[Na+].[Na+]