CAS: 58-08-2 Summenformel: C8H10N4O2 Molekulargewicht (g/mol): 194.19 MDL-Nummer: MFCD00005758 InChI-Schlüssel: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonym: alert-pep, theine, mateina, koffein, methyltheobromine, cafeina, thein, guaranine, 1,3,7-trimethylxanthine, caffeine PubChem CID: 2519 ChEBI: CHEBI:27732 IUPAC-Name: 1,3,7-Trimethylpurin-2,6-Dion SMILES: CN1C=NC2=C1C(=O)N(C)C(=O)N2C

CAS: 83-67-0 Summenformel: C7H8N4O2 Molekulargewicht (g/mol): 180.167 MDL-Nummer: MFCD00022830 InChI-Schlüssel: YAPQBXQYLJRXSA-UHFFFAOYSA-N Synonym: theobromin, thesal, thesodate, santheose, theostene, theosalvose, teobromin, diurobromine, 3,7-dimethylxanthine, theobromine PubChem CID: 5429 ChEBI: CHEBI:28946 IUPAC-Name: 3,7-Dimethylpurin-2,6-Dion SMILES: CN1C=NC2=C1C(=O)NC(=O)N2C

CAS: 69-89-6 Summenformel: C₅H₄N₄O₂ Molekulargewicht (g/mol): 152.11 MDL-Nummer: MFCD00078453 InChI-Schlüssel: LRFVTYWOQMYALW-UHFFFAOYSA-N Synonym: 9h-purine-2,6-diol, 1h-purine-2,6-diol, xanthic oxide, isoxanthine, 1h-purine-2,6 3h,7h-dione, pseudoxanthine, 2,6-dioxopurine, xanthin, 2,6-dihydroxypurine, xanthine PubChem CID: 1188 ChEBI: CHEBI:17712 IUPAC-Name: 3,7-Dihydropurin-2,6-Dion SMILES: C1=NC2=C(N1)C(=O)NC(=O)N2

CAS: 69-93-2 Summenformel: C5H4N4O3 Molekulargewicht (g/mol): 168.112 MDL-Nummer: MFCD00005712 InChI-Schlüssel: LEHOTFFKMJEONL-UHFFFAOYSA-N Synonym: 1h-purine-2,6,8 3h-trione, 7,9-dihydro, 7,9-dihydro-1h-purine-2,6,8 3h-trione, 8-hydroxyxanthine, 1h-purine-2,6,8-triol, 2,6,8-trioxopurine, 2,6,8-trihydroxypurine, lithic acid, 2,6,8-trioxypurine, urate, uric acid PubChem CID: 1175 ChEBI: CHEBI:17775 IUPAC-Name: 7,9-Dihydro-3H-Purin-2,6,8-Trion SMILES: C12=C(NC(=O)N1)NC(=O)NC2=O

CAS: 6410-10-2 Summenformel: C16H11N3O3 Molekulargewicht (g/mol): 293.28 MDL-Nummer: MFCD00003908 InChI-Schlüssel: ACHQDMGGRZPFAW-VLGSPTGOSA-N ChEBI: CHEBI:7986

CAS: 2465-59-0 Summenformel: C5H4N4O2 Molekulargewicht (g/mol): 152.113 MDL-Nummer: MFCD00056934 InChI-Schlüssel: HXNFUBHNUDHIGC-UHFFFAOYSA-N Synonym: alloxanthin van, 1h-pyrazolo 3,4-d pyrimidine-4,6 2h,5h-dione, oxipurinolum, 1h-pyrazolo 3,4-d pyrimidine-4,6 5h,7h-dione, 4,6-dihydroxypyrazolo 3,4-d pyrimidine, oxoallopurinol, 1h-pyrazolo 3,4-d pyrimidine-4,6-diol, alloxanthine, oxipurinol, oxypurinol PubChem CID: 4644 ChEBI: CHEBI:28315 IUPAC-Name: 1,2-Dihydropyrazolo[3,4-d]Pyrimidin-4,6-Dion SMILES: C1=C2C(=NC(=O)NC2=O)NN1

CAS: 69-22-7 Summenformel: C₈H₁₀N₄O₂·C₆H₈O₇ Molekulargewicht (g/mol): 386.31 InChI-Schlüssel: RCQXSQPPHJPGOF-UHFFFAOYSA-N Synonym: dsstox_cid_26938, 1,2,3-propanetricarboxylic acid, 2-hydroxy-, mixt. with 3,7-dihydro-1,3,7-trimethyl-1h-purine-2,6-dione, citric acid, compd. with caffeine 1:1, unii-u26eo4675q, caffeine citrated, caffeine citrate 1:1, citrated caffein, caffeina citrate, caffeine, citrated, caffeine citrate PubChem CID: 6241 IUPAC-Name: 2-Hydroxypropan-1,2,3-Tricarbonsäure;1,3,7-Trimethylpurin-2,6-Dion SMILES: CN1C=NC2=C1C(=O)N(C(=O)N2C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

CAS: 28822-58-4 Summenformel: C10H14N4O2 Molekulargewicht (g/mol): 222.25 MDL-Nummer: MFCD00005584 InChI-Schlüssel: APIXJSLKIYYUKG-UHFFFAOYSA-N Synonym: methyl-isobutylxanthine, 1h-purine-2,6-dione, 3,7-dihydro-1-methyl-3-2-methylpropyl, 3-isobutyl-1-methyxanthine, xanthine, 3-isobutyl-1-methyl, 3-isobutyl-1-methyl-1h-purine-2,6 3h,7h-dione, methylisobutylxanthine, 1-methyl-3-isobutylxanthine, isobutylmethylxanthine, ibmx, 3-isobutyl-1-methylxanthine PubChem CID: 3758 ChEBI: CHEBI:43253 SMILES: CC(C)CN1C2=C(NC=N2)C(=O)N(C)C1=O

CAS: 652-37-9 Summenformel: C9H9N4NaO4 Molekulargewicht (g/mol): 260.19 MDL-Nummer: MFCD00022832 InChI-Schlüssel: MSFVZSOKOXZSME-UHFFFAOYSA-M Synonym: 7-theophyllineacetic acid, 7-theophyllinessigsaeure, theophyllin-7-ylacetic acid, 7-theophyllinylacetic acid, 7-carboxymethyl theophylline, carboxymethyltheophylline, theophyllineacetic acid, acephylline, theophylline-7-acetic acid, acefylline PubChem CID: 69550 IUPAC-Name: 2-(1,3-Dimethyl-2,6-Dioxopurin-7-yl)Ethansäure SMILES: [Na+].CN1C2=C(N(CC([O-])=O)C=N2)C(=O)N(C)C1=O

CAS: 69-93-2 Summenformel: C5H4N4O3 Molekulargewicht (g/mol): 168.112 MDL-Nummer: MFCD00005712 InChI-Schlüssel: LEHOTFFKMJEONL-UHFFFAOYSA-N Synonym: 1h-purine-2,6,8 3h-trione, 7,9-dihydro, 7,9-dihydro-1h-purine-2,6,8 3h-trione, 8-hydroxyxanthine, 1h-purine-2,6,8-triol, 2,6,8-trioxopurine, 2,6,8-trihydroxypurine, lithic acid, 2,6,8-trioxypurine, urate, uric acid PubChem CID: 1175 ChEBI: CHEBI:17775 IUPAC-Name: 7,9-Dihydro-3H-purin-2,6,8-trion SMILES: C12=C(NC(=O)N1)NC(=O)NC2=O

CAS: 58-08-2 Summenformel: C8H10N4O2 Molekulargewicht (g/mol): 194.19 MDL-Nummer: MFCD00005758 InChI-Schlüssel: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonym: alert-pep, theine, mateina, koffein, methyltheobromine, cafeina, thein, guaranine, 1,3,7-trimethylxanthine, caffeine PubChem CID: 2519 ChEBI: CHEBI:27732 IUPAC-Name: 1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione SMILES: CN1C=NC2=C1C(=O)N(C)C(=O)N2C

CAS: 479-18-5 Summenformel: C₁₀H₁₄N₄O₄ Molekulargewicht (g/mol): 254.24 MDL-Nummer: MFCD00005759 InChI-Schlüssel: KSCFJBIXMNOVSH-UHFFFAOYSA-N Synonym: diprofilline, aristophyllin, lufyllin, neothylline, glyphylline, diprophyllin, 7-2,3-dihydroxypropyl theophylline, diphylline, diprophylline, dyphylline PubChem CID: 3182 ChEBI: CHEBI:4728 IUPAC-Name: 7-(2,3-Dihydroxypropyl)-1,3-Dimethylpurin-2,6-Dion SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O

CAS: 58-08-2 Summenformel: C8H10N4O2 Molekulargewicht (g/mol): 194.19 MDL-Nummer: MFCD00005758 InChI-Schlüssel: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonym: alert-pep, theine, mateina, koffein, methyltheobromine, cafeina, thein, guaranine, 1,3,7-trimethylxanthine, caffeine PubChem CID: 2519 ChEBI: CHEBI:27732 IUPAC-Name: 1,3,7-Trimethylpurin-2,6-Dion SMILES: CN1C=NC2=C1C(=O)N(C)C(=O)N2C

CAS: 69-89-6 Summenformel: C5H4N4O2 Molekulargewicht (g/mol): 152.113 MDL-Nummer: MFCD00078453 InChI-Schlüssel: LRFVTYWOQMYALW-UHFFFAOYSA-N Synonym: 9h-purine-2,6-diol, 1h-purine-2,6-diol, xanthic oxide, isoxanthine, 1h-purine-2,6 3h,7h-dione, pseudoxanthine, 2,6-dioxopurine, xanthin, 2,6-dihydroxypurine, xanthine PubChem CID: 1188 ChEBI: CHEBI:17712 IUPAC-Name: 3,7-Dihydropurin-2,6-Dion SMILES: C1=NC2=C(N1)C(=O)NC(=O)N2

CAS: 58-55-9 Summenformel: C₇H₈N₄O₂ Molekulargewicht (g/mol): 180.17 MDL-Nummer: MFCD00079619 InChI-Schlüssel: ZFXYFBGIUFBOJW-UHFFFAOYSA-N Synonym: theo-dur, theocin, respbid, theophylline anhydrous, nuelin, theolair, theophyllin, elixophyllin, 1,3-dimethylxanthine, theophylline PubChem CID: 2153 ChEBI: CHEBI:28177 IUPAC-Name: 1,3-Dimethyl-7H-Purin-2,6-Dion SMILES: CN1C2=C(C(=O)N(C1=O)C)NC=N2

CAS: 1196-43-6 Summenformel: C5H3N4NaO2 Molekulargewicht (g/mol): 174.095 MDL-Nummer: MFCD00069669 InChI-Schlüssel: HKDXLLDCXWUUKY-UHFFFAOYSA-M Synonym: sodium 2-oxo-3,7-dihydropurin-6-olate, potassium 2-oxo-3,7-dihydropurin-6-olate, 1h-purine-2,6-dione, 3,9-dihydro-, sodium salt 1:?, xanthate de sodium, 3,7-dihydro-1h-purine-2,6-dione, sodium salt, 3,7-dihydro-1 h-purine-2,6-dione sodium salt, 1 h-purine-2,6-dione, 3,7-dihydro-, sodium salt, xanthate de sodium french, xanthine, sodium salt, xanthine sodium salt PubChem CID: 23668765 IUPAC-Name: Natrium;2-oxo-3,7-dihydropurin-6-olat SMILES: C1=NC2=C(N1)C(=NC(=O)N2)[O-].[Na+]

CAS: 552-62-5 Summenformel: C6H6N4O2 Molekulargewicht (g/mol): 166.14 MDL-Nummer: MFCD00037979 InChI-Schlüssel: PFWLFWPASULGAN-UHFFFAOYSA-N Synonym: 1h-purine-2,6-dione, 3,7-dihydro-7-methyl, 7-methyl-3,7-dihydro-1h-purine-2,6-dione, 3,7-dihydro-7-methyl-1h-purine-2,6-dione, xanthine, 7-methyl, 2,6-dihydroxy-7-methylpurine, 7-methyl-1h-purine-2,6 3h,7h-dione, 7-methylxanthin, heteroxanthin, heteroxanthine, 7-methylxanthine PubChem CID: 68374 ChEBI: CHEBI:48991 SMILES: CN1C=NC2=C1C(=O)NC(=O)N2

CAS: 2465-59-0 Summenformel: C₅H₄N₄O₂ Molekulargewicht (g/mol): 152.11 MDL-Nummer: MFCD00056934 InChI-Schlüssel: HXNFUBHNUDHIGC-UHFFFAOYSA-N Synonym: alloxanthin van, 1h-pyrazolo 3,4-d pyrimidine-4,6 2h,5h-dione, oxipurinolum, 1h-pyrazolo 3,4-d pyrimidine-4,6 5h,7h-dione, 4,6-dihydroxypyrazolo 3,4-d pyrimidine, oxoallopurinol, 1h-pyrazolo 3,4-d pyrimidine-4,6-diol, alloxanthine, oxipurinol, oxypurinol PubChem CID: 4644 ChEBI: CHEBI:28315 IUPAC-Name: 1,2-Dihydropyrazolo[3,4-d]Pyrimidin-4,6-Dion SMILES: C1=C2C(=NC(=O)NC2=O)NN1

CAS: 5878-61-5 Summenformel: C9H11ClN4O2 Molekulargewicht (g/mol): 242.663 MDL-Nummer: MFCD00005760 InChI-Schlüssel: QCIARNIKNKKHFH-UHFFFAOYSA-N Synonym: 1h-purine-2,6-dione, 7-2-chloroethyl-3,7-dihydro-1,3-dimethyl, 7-chloroethyltheophylline, 7-beta-chlorethyl theophylline, unii-y7202un6b7, beta-chloroethyltheophylline, theophylline, 7-2-chloroethyl, 7-chloroethyl theophylline, eupnophile, benaphyllin, 7-2-chloroethyl theophylline PubChem CID: 1882 IUPAC-Name: 7-(2-Chlorethyl)-1,3-Dimethylpurin-2,6-Dion SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCl

CAS: 1076-22-8 Summenformel: C6H6N4O2 Molekulargewicht (g/mol): 166.14 MDL-Nummer: MFCD00005580 InChI-Schlüssel: GMSNIKWWOQHZGF-UHFFFAOYSA-N Synonym: ccris 5817, 3-methyl-2,3,6,7-tetrahydro-1h-purine-2,6-dione, unii-ws6x982oec, 1h-purine-2,6-dione, 3,7-dihydro-3-methyl, 3-methyl xanthine, 3 mx, xanthine, 3-methyl, 2,6-dihydroxy-3-methylpurine, 3-methyl-1h-purine-2,6 3h,7h-dione, 3-methylxanthine PubChem CID: 70639 ChEBI: CHEBI:62207 IUPAC-Name: 3-Methyl-7H-Purin-2,6-Dion SMILES: CN1C2=C(C(=O)NC1=O)NC=N2

CAS: 652-37-9 Summenformel: C9H9N4NaO4 Molekulargewicht (g/mol): 260.19 MDL-Nummer: MFCD00022832 InChI-Schlüssel: MSFVZSOKOXZSME-UHFFFAOYSA-M Synonym: 7-theophyllineacetic acid, 7-theophyllinessigsaeure, theophyllin-7-ylacetic acid, 7-theophyllinylacetic acid, 7-carboxymethyl theophylline, carboxymethyltheophylline, theophyllineacetic acid, acephylline, theophylline-7-acetic acid, acefylline PubChem CID: 69550 IUPAC-Name: 2-(1,3-Dimethyl-2,6-Dioxopurin-7-yl)Ethansäure SMILES: [Na+].CN1C2=C(N(CC([O-])=O)C=N2)C(=O)N(C)C1=O

CAS: 1076-22-8 Summenformel: C₆H₆N₄O₂ Molekulargewicht (g/mol): 166.14 InChI-Schlüssel: GMSNIKWWOQHZGF-UHFFFAOYSA-N Synonym: ccris 5817, 3-methyl-2,3,6,7-tetrahydro-1h-purine-2,6-dione, unii-ws6x982oec, 1h-purine-2,6-dione, 3,7-dihydro-3-methyl, 3-methyl xanthine, 3 mx, xanthine, 3-methyl, 2,6-dihydroxy-3-methylpurine, 3-methyl-1h-purine-2,6 3h,7h-dione, 3-methylxanthine PubChem CID: 70639 ChEBI: CHEBI:62207 IUPAC-Name: 3-Methyl-7H-Purin-2,6-Dion SMILES: CN1C2=C(C(=O)NC1=O)NC=N2

CAS: 83-67-0 Summenformel: C₇H₈N₄O₂ Molekulargewicht (g/mol): 180.17 MDL-Nummer: MFCD00022830 InChI-Schlüssel: YAPQBXQYLJRXSA-UHFFFAOYSA-N Synonym: theobromin, thesal, thesodate, santheose, theostene, theosalvose, teobromin, diurobromine, 3,7-dimethylxanthine, theobromine PubChem CID: 5429 ChEBI: CHEBI:28946 IUPAC-Name: 3,7-Dimethylpurin-2,6-Dion SMILES: CN1C=NC2=C1C(=O)NC(=O)N2C

CAS: 5968-90-1 Summenformel: C₁₀H₁₂N₄O₆·₂H₂O Molekulargewicht (g/mol): 320.26 InChI-Schlüssel: AQQAMLPKPXTPOL-GWTDSMLYSA-N Synonym: xanthosine, dihydrate 8ci,9ci, a-d-ribofuranosylxanthine, 9-, 9-beta-d-ribofuranosyl xanthine dihydrate, xanthosine,dihydrate, xanthosine dihydrate mi, xanthosine, dihydrate, 9-2r,3r,4s,5r-3,4-dihydroxy-5-hydroxymethyl tetrahydrofuran-2-yl-9h-purine-2,6-diol dihydrate, unii-1u62i480sp, xanthosine dihydrate PubChem CID: 91886582 IUPAC-Name: 9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-yl]-3H-Purin-2,6-Dion;Hydrat SMILES: C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=O)NC2=O.O

CAS: 28822-58-4 Summenformel: C10H14N4O2 Molekulargewicht (g/mol): 222.25 MDL-Nummer: MFCD00005584 InChI-Schlüssel: APIXJSLKIYYUKG-UHFFFAOYSA-N Synonym: methyl-isobutylxanthine, 1h-purine-2,6-dione, 3,7-dihydro-1-methyl-3-2-methylpropyl, 1H-Purin-2,6-Dion, 3,7-Dihydro-1-methyl-3-2methylpropyl, 3-Isobutyl-1-methyxanthin, Xanthin, 3-Isobutyl-1-Methyl, 3-Isobutyl-1-methyl-1H-purin-2,6 3H,7H-Dion, Methylisobutylxanthin, 1-Methyl-3-isobutylxanthin, Isobutylmethylxanthin, 3-Isobutyl-1-Methylxanthin PubChem CID: 3758 ChEBI: CHEBI:43253 IUPAC-Name: 1-Methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purin-2,6-dion SMILES: CC(C)CN1C2=C(NC=N2)C(=O)N(C)C1=O