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 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-Isobutyl-1-methylxanthine, 99+%, ACROS Organics™

CAS: 28822-58-4 Molecular Formula: C10H14N4O2 Molecular Weight (g/mol): 222.25 MDL Number: MFCD00005584 InChI Key: APIXJSLKIYYUKG-UHFFFAOYSA-N Synonym: 1-methyl-3-isobutylxanthine 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™ 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 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 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 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, 98.5%, USP/BP, ACROS Organics™

CAS: 58-08-2 Molecular Formula: C8H10N4O2 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00005758 InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonym: 1,3,7-trimethylxanthine 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 PubChem CID: 1188 ChEBI: CHEBI:17712 IUPAC Name: 3,7-dihydropurine-2,6-dione SMILES: C1=NC2=C(N1)C(=O)NC(=O)N2

Theobromine, 99%, ACROS Organics™

CAS: 83-67-0 Molecular Formula: C7H8N4O2 Molecular Weight (g/mol): 180.17 MDL Number: MFCD00022830 InChI Key: YAPQBXQYLJRXSA-UHFFFAOYSA-N Synonym: 3,7-dimethylxanthine PubChem CID: 5429 ChEBI: CHEBI:28946 IUPAC Name: 3,7-dimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)NC(=O)N2C

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 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

PSB 1115, Tocris Bioscience™ Available on GSA/VA Contract for Federal Government customers only.

CAS: 152529-79-8 Molecular Formula: C14H14N4O5S Molecular Weight (g/mol): 350.349 InChI Key: UYDRRQPGDSIMNU-UHFFFAOYSA-N Synonym: 1-propyl-8-p-sulfophenyl xanthine PubChem CID: 5311479 IUPAC Name: 4-(2,6-dioxo-1-propyl-3,7-dihydropurin-8-yl)benzenesulfonic acid SMILES: CCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)S(=O)(=O)O

Alfa Aesar™ 3-Isobutyl-1-methylxanthine

CAS: 28822-58-4 Molecular Formula: C10H14N4O2 Molecular Weight (g/mol): 222.248 MDL Number: MFCD00005584 InChI Key: APIXJSLKIYYUKG-UHFFFAOYSA-N Synonym: 1-methyl-3-isobutylxanthine 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

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 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

Theophylline, 99+%, anhydrous, ACROS Organics™

CAS: 58-55-9 Molecular Formula: C7H8N4O2 Molecular Weight (g/mol): 180.17 MDL Number: MFCD00079619 InChI Key: ZFXYFBGIUFBOJW-UHFFFAOYSA-N Synonym: 1,3-dimethylxanthine 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

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 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

7-(2-Hydroxyethyl)theophylline 98.0+%, TCI America™

CAS: 519-37-9 Molecular Formula: C9H12N4O3 Molecular Weight (g/mol): 224.22 MDL Number: MFCD00055055 InChI Key: NWPRCRWQMGIBOT-UHFFFAOYSA-N Synonym: Etofylline PubChem CID: 1892 IUPAC Name: 7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCO

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 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

Xanthosine dihydrate, 99%, Acros Organics™

CAS: 5968-90-1 Molecular Formula: C10H12N4O6·2H2O Molecular Weight (g/mol): 320.26 InChI Key: AQQAMLPKPXTPOL-GWTDSMLYSA-N Synonym: 9- PubChem CID: 91886582 IUPAC Name: 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione;hydrate SMILES: C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=O)NC2=O.O

Caffeine Anhydrous 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 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

GS 6201, Tocris Bioscience™ Available on GSA/VA Contract for Federal Government customers only.

CAS: 752222-83-6 Molecular Formula: C21H21F3N6O2 Molecular Weight (g/mol): 446.434 InChI Key: KOYXXLLNCXWUNF-UHFFFAOYSA-N Synonym: 1h-purine-2,6-dione, 3-ethyl-3,9-dihydro-1-propyl-8-1-3-trifluoromethyl phenyl methyl-1h-pyrazol-4-yl PubChem CID: 11270783 IUPAC Name: 3-ethyl-1-propyl-8-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-7H-purine-2,6-dione SMILES: CCCN1C(=O)C2=C(N=C(N2)C3=CN(N=C3)CC4=CC(=CC=C4)C(F)(F)F)N(C1=O)CC

Caffeine, citrated, ACROS Organics™

CAS: 69-22-7 Molecular Formula: C14H18N4O9 Molecular Weight (g/mol): 386.317 InChI Key: RCQXSQPPHJPGOF-UHFFFAOYSA-N Synonym: 1,2,3-propanetricarboxylic acid, 2-hydroxy-, mixt. with 3,7-dihydro-1,3,7-trimethyl-1h-purine-2,6-dione PubChem CID: 6241 IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid;1,3,7-trimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)N(C(=O)N2C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

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 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

PSB 36, Tocris Bioscience™ Available on GSA/VA Contract for Federal Government customers only.

CAS: 524944-72-7 Molecular Formula: C21H30N4O3 Molecular Weight (g/mol): 386.496 InChI Key: CIBIXJYFYPFMTN-UHFFFAOYSA-N Synonym: 1-butyl-3-3-hydroxypropyl-8-2,5-methanooctahydropentalene-3a-yl-3,7-dihydro-1h-purine-2,6-dione PubChem CID: 11689583 SMILES: CCCCN1C(=O)C2=C(N=C(N2)C34CC5CC(C3)CC4C5)N(C1=O)CCCO

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 PubChem CID: 5429 ChEBI: CHEBI:28946 IUPAC Name: 3,7-dimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)NC(=O)N2C

Alfa Aesar™ Theophylline monohydrate, 99%

CAS: 5967-84-0 Molecular Formula: C7H10N4O3 Molecular Weight (g/mol): 198.182 MDL Number: MFCD00151659 InChI Key: INQSMEFCAIHTJG-UHFFFAOYSA-N Synonym: aerolate jr PubChem CID: 91268 IUPAC Name: 1,3-dimethyl-7H-purine-2,6-dione;hydrate SMILES: CN1C2=C(C(=O)N(C1=O)C)NC=N2.O

TCS 5861528, Tocris Bioscience™

CAS: 332117-28-9 Molecular Formula: C19H23N5O3 Molecular Weight (g/mol): 369.425 InChI Key: ZUTUWJYMCADJHD-UHFFFAOYSA-N Synonym: 2-1,3-dimethyl-2,6-dioxo 1,3,7-trihydropurin-7-yl-n-4-methylpropyl phenyl acetamide PubChem CID: 2873523 IUPAC Name: N-(4-butan-2-ylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide SMILES: CCC(C)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

Xanthine, 98%, ACROS Organics™

CAS: 69-89-6 Molecular Formula: C5H4N4O2 Molecular Weight (g/mol): 152.11 MDL Number: MFCD00078453 InChI Key: LRFVTYWOQMYALW-UHFFFAOYSA-N Synonym: 1h-purine-2,6 3h,7h-dione 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 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 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

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 PubChem CID: 5429 ChEBI: CHEBI:28946 IUPAC Name: 3,7-dimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)NC(=O)N2C

Caffeine, Tocris Bioscience™

CAS: 58-08-2 Molecular Formula: C8H10N4O2 Molecular Weight (g/mol): 194.194 InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonym: 1,3,7-trimethylxanthine 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

  spinner