1-(3-Carboxypropyl)-3,7-dimethylxanthine

• Synonyms:

  1H-Purine-1-butanoic acid, 2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-; Purine-1(2H)-butyric acid, 3,6-dihydro-3,7-dimethyl-2,6-dioxo- (7CI,8CI); 2,3,6,7-Tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purine-1-butanoic acid; 1-(3-Carboxypropyl)-3,7-dimethylxanthine; 1-(3-Carboxypropyl)3,7-dimethylxantine; 1-(3-Carboxypropyl)theobromine; 1-(3'-Carboxypropyl)-3,7-dimethylxanthine; 3,7-Dimethyl-1-(3-carboxypropyl)xanthine; C 21187

• Hazard Statement:

  Harmful if swallowed

• Smiles:

  CN1C(=O)N(CCCC(=O)O)C(=O)c2c1ncn2C

• Molecular Formula:

  C11 H14 N4 O4

• Molecular Weight:

  266.25

• InChI:

  InChI=1S/C11H14N4O4/c1-13-6-12-9-8(13)10(18)15(11(19)14(9)2)5-3-4-7(16)17/h6H,3-5H2,1-2H3,(H,16,17)

• Additionnal Information:

  IUPAC name: 4-(3,7-dimethyl-2,6-dioxopurin-1-yl)butanoic acid

• Shipping Conditions:

  Room Temperature

• Storage Conditions:

  -20°C

• CAS Number:

  6493-07-8