Xanthines

Caffeine (Powder/USP/FCC), Fisher Chemical

CAS: 58-08-2 Molecular Formula: C8H10N4O2 Molecular Weight (g/mol): 194.194 MDL Number: MFCD00005758 InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonym: 1,3,7-trimethylxanthine, alert-pep, cafeina, caffeine, guaranine, koffein, mateina, methyltheobromine, thein, theine PubChem CID: 2519 ChEBI: CHEBI:27732 IUPAC Name: 1,3,7-trimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)N(C(=O)N2C)C

Caffeine, 99%, Alfa Aesar™

CAS: 58-08-2 Molecular Formula: C8H10N4O2 Molecular Weight (g/mol): 194.194 MDL Number: MFCD00005758 InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonym: 1,3,7-trimethylxanthine, alert-pep, cafeina, caffeine, guaranine, koffein, mateina, methyltheobromine, thein, theine PubChem CID: 2519 ChEBI: CHEBI:27732 IUPAC Name: 1,3,7-trimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)N(C(=O)N2C)C

Alfa Aesar™ Xanthine, 99%

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

Alfa Aesar™ Uric acid, 99%

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

Caffeine, 99.7%, Alfa Aesar™

CAS: 58-08-2 Molecular Formula: C8H10N4O2 Molecular Weight (g/mol): 194.194 MDL Number: MFCD00005758 InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonym: 1,3,7-trimethylxanthine, alert-pep, cafeina, caffeine, guaranine, koffein, mateina, methyltheobromine, thein, theine PubChem CID: 2519 ChEBI: CHEBI:27732 IUPAC Name: 1,3,7-trimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)N(C(=O)N2C)C

HC 030031, Tocris Bioscience™ Available on GSA/VA Contract for Federal Government customers only.

CAS: 349085-38-7 Molecular Formula: C18H21N5O3 Molecular Weight (g/mol): 355.398 InChI Key: HEQDZPHDVAOBLN-UHFFFAOYSA-N Synonym: 2-1,3-dimethyl-2,6-dioxo 1,3,7-trihydropurin-7-yl-n-4-methylethyl phenyl acetamide, 2-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl-n-4-isopropylphenyl acetamide, 2-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl-n-4-propan-2-yl phenyl acetamide, 2-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurin-7-yl-n-4-isopropylphenyl acetamide, 2-1,3-dimethyl-2,6-dioxo-2,3-dihydro-1h-purin-7 6h-yl-n-4-isopropylphenyl acetamide, 2-1,3-dimethyl-2,6-dioxopurin-7-yl-n-4-isopropylphenyl acetamide, 2-1,3-dimethyl-2,6-dioxopurin-7-yl-n-4-propan-2-ylphenyl acetamide, d0d6mc, hc hplc , powder, trpa1 inhibitor pain/inflammation , hydra biosciences/cubist pharmaceuticals PubChem CID: 1150897 IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide SMILES: CC(C)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

Istradefylline, Tocris Bioscience™

CAS: 155270-99-8 Molecular Formula: C20H24N4O4 Molecular Weight (g/mol): 384.436 InChI Key: IQVRBWUUXZMOPW-PKNBQFBNSA-N Synonym: 2gz0lik7t4, 8-e-2-3,4-dimethoxyphenyl ethenyl-1,3-diethyl-7-methyl-purine-2,6-dione, 8-e-2-3,4-dimethoxyphenyl ethenyl-1,3-diethyl-7-methylpurine-2,6-dione, e-8-3,4-dimethoxystyryl-1,3-diethyl-7-methyl-1h-purine-2,6 3h,7h-dione, e-8-3,4-dimethoxystyryl-1,3-diethyl-7-methylxanthine, istradefylline, istradefylline jan/usan/inn, istradefylline kw-6002, istradefylline usan:inn, unii-2gz0lik7t4 PubChem CID: 5311037 IUPAC Name: 8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione SMILES: CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)C=CC3=CC(=C(C=C3)OC)OC)C

IBMX, Tocris Bioscience™ Available on GSA/VA Contract for Federal Government customers only.

CAS: 28822-58-4 Molecular Formula: C10H14N4O2 Molecular Weight (g/mol): 222.248 InChI Key: APIXJSLKIYYUKG-UHFFFAOYSA-N Synonym: 1-methyl-3-isobutylxanthine, 1h-purine-2,6-dione, 3,7-dihydro-1-methyl-3-2-methylpropyl, 3-isobutyl-1-methyl-1h-purine-2,6 3h,7h-dione, 3-isobutyl-1-methylxanthine, 3-isobutyl-1-methyxanthine, ibmx, isobutylmethylxanthine, methyl-isobutylxanthine, methylisobutylxanthine, xanthine, 3-isobutyl-1-methyl PubChem CID: 3758 ChEBI: CHEBI:43253 IUPAC Name: 1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione SMILES: CC(C)CN1C2=C(C(=O)N(C1=O)C)NC=N2

Caffeine, BAKER™, J.T.Baker™

CAS: 58-08-2 Molecular Formula: C8H10N4O2 Molecular Weight (g/mol): 194.194 InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonym: 1,3,7-trimethylxanthine, alert-pep, cafeina, caffeine, guaranine, koffein, mateina, methyltheobromine, thein, theine PubChem CID: 2519 ChEBI: CHEBI:27732 IUPAC Name: 1,3,7-trimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)N(C(=O)N2C)C

Caffeine monohydrate, MP Biomedicals™

CAS: 58-08-2 Molecular Formula: C8H10N4O2 Molecular Weight (g/mol): 194.194 MDL Number: MFCD00005758 InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonym: 1,3,7-trimethylxanthine, alert-pep, cafeina, caffeine, guaranine, koffein, mateina, methyltheobromine, thein, theine PubChem CID: 2519 ChEBI: CHEBI:27732 IUPAC Name: 1,3,7-trimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)N(C(=O)N2C)C

MRS 1754, Tocris Bioscience™ Available on GSA/VA Contract for Federal Government customers only.

CAS: 264622-58-4 Molecular Formula: C26H26N6O4 Molecular Weight (g/mol): 486.532 InChI Key: AJBBEYXFRYFVNM-UHFFFAOYSA-N Synonym: a2b adenosine receptor antagonists, adenosine/ortho-mcneil, atl-gw-22, atl-gw-8, d01qyq, d0ne5p, gtpl449, gtpl453, lopac-m-6316, n-4-cyanophenyl-2-4-2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1h-purin-8-yl phenoxy-acetamide, n-4-cyanophenyl-2-4-2,6-dioxo-1,3-dipropyl-7h-purin-8-yl phenoxy acetamide PubChem CID: 6603931 IUPAC Name: N-(4-cyanophenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide SMILES: CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)OCC(=O)NC4=CC=C(C=C4)C#N

DPCPX, Tocris Bioscience™ Available on GSA/VA Contract for Federal Government customers only.

CAS: 102146-07-6 Molecular Formula: C16H24N4O2 Molecular Weight (g/mol): 304.394 InChI Key: FFBDFADSZUINTG-UHFFFAOYSA-N Synonym: 1,3-dipropyl-8-cyclopentylxanthine, 1,3-dpcpx, 8-cyclopentyl-1,3-dipropyl-1h-purine-2,6 3h,7h-dione, 8-cyclopentyl-1,3-dipropylxanthine, 9ptp4foi9e, chembl183, dipropylcyclopentylxanthine, dpcpx, gnf-pf-2224, unii-9ptp4foi9e PubChem CID: 1329 ChEBI: CHEBI:73282 IUPAC Name: 8-cyclopentyl-1,3-dipropyl-7H-purine-2,6-dione SMILES: CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3CCCC3

Theobromine 98.0+%, TCI America™

CAS: 83-67-0 Molecular Formula: C7H8N4O2 Molecular Weight (g/mol): 180.167 MDL Number: MFCD00022830 InChI Key: YAPQBXQYLJRXSA-UHFFFAOYSA-N Synonym: 3,7-dimethylxanthine, diurobromine, santheose, teobromin, theobromin, theobromine, theosalvose, theostene, thesal, thesodate PubChem CID: 5429 ChEBI: CHEBI:28946 IUPAC Name: 3,7-dimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)NC(=O)N2C

3-Isobutyl-1-Methylxanthine, MP Biomedicals™

CAS: 28822-58-4 Molecular Formula: C10H14N4O2 Molecular Weight (g/mol): 222.248 InChI Key: APIXJSLKIYYUKG-UHFFFAOYSA-N Synonym: 1-methyl-3-isobutylxanthine, 1h-purine-2,6-dione, 3,7-dihydro-1-methyl-3-2-methylpropyl, 3-isobutyl-1-methyl-1h-purine-2,6 3h,7h-dione, 3-isobutyl-1-methylxanthine, 3-isobutyl-1-methyxanthine, ibmx, isobutylmethylxanthine, methyl-isobutylxanthine, methylisobutylxanthine, xanthine, 3-isobutyl-1-methyl PubChem CID: 3758 ChEBI: CHEBI:43253 IUPAC Name: 1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione SMILES: CC(C)CN1C2=C(C(=O)N(C1=O)C)NC=N2

Alfa Aesar™ Theobromine, 99%

CAS: 83-67-0 Molecular Formula: C7H8N4O2 Molecular Weight (g/mol): 180.167 MDL Number: MFCD00022830 InChI Key: YAPQBXQYLJRXSA-UHFFFAOYSA-N Synonym: 3,7-dimethylxanthine, diurobromine, santheose, teobromin, theobromin, theobromine, theosalvose, theostene, thesal, thesodate PubChem CID: 5429 ChEBI: CHEBI:28946 IUPAC Name: 3,7-dimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)NC(=O)N2C

Xanthine 98.0+%, TCI America™

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

Caffeine anhydrous, 99.7%, MP Biomedicals™

CAS: 58-08-2 Molecular Formula: C8H10N4O2 Molecular Weight (g/mol): 194.194 InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonym: 1,3,7-trimethylxanthine, alert-pep, cafeina, caffeine, guaranine, koffein, mateina, methyltheobromine, thein, theine PubChem CID: 2519 ChEBI: CHEBI:27732 IUPAC Name: 1,3,7-trimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)N(C(=O)N2C)C

Caffeine 98.0+%, TCI America™

CAS: 58-08-2 Molecular Formula: C8H10N4O2 Molecular Weight (g/mol): 194.194 InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonym: 1,3,7-trimethylxanthine, alert-pep, cafeina, caffeine, guaranine, koffein, mateina, methyltheobromine, thein, theine PubChem CID: 2519 ChEBI: CHEBI:27732 IUPAC Name: 1,3,7-trimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)N(C(=O)N2C)C

3-Methylxanthine 98.0+%, TCI America™

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

Tetramisole hydrochloride, 99.6%, MP Biomedicals™

CAS: 83-67-0 Molecular Formula: C7H8N4O2 Molecular Weight (g/mol): 180.167 InChI Key: YAPQBXQYLJRXSA-UHFFFAOYSA-N Synonym: 3,7-dimethylxanthine, diurobromine, santheose, teobromin, theobromin, theobromine, theosalvose, theostene, thesal, thesodate PubChem CID: 5429 ChEBI: CHEBI:28946 IUPAC Name: 3,7-dimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)NC(=O)N2C

Theophylline 98.0+%, TCI America™

CAS: 58-55-9 Molecular Formula: C7H8N4O2 Molecular Weight (g/mol): 180.167 MDL Number: MFCD00079619 InChI Key: ZFXYFBGIUFBOJW-UHFFFAOYSA-N Synonym: 1,3-dimethylxanthine, elixophyllin, nuelin, respbid, theo-dur, theocin, theolair, theophyllin, theophylline, theophylline anhydrous PubChem CID: 2153 ChEBI: CHEBI:28177 IUPAC Name: 1,3-dimethyl-7H-purine-2,6-dione SMILES: CN1C2=C(C(=O)N(C1=O)C)NC=N2

Uric acid, 99% max., MP Biomedicals™

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

Caffeine, SPEX CertiPrep™

CAS: 58-08-2 Molecular Formula: C8H10N4O2 Molecular Weight (g/mol): 194.194 InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N PubChem CID: 2519 ChEBI: CHEBI:27732 IUPAC Name: 1,3,7-trimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)N(C(=O)N2C)C

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