3-methyl xanthine
3,7-dihydro-3-methyl-1H-purine-2,6-dione

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  CODE119221 CODE119221
  Product(s):
  1076-22-8 Theophylline Impurity B > 95%
  An impurity of Dyphylline which belongs to a class of drugs known as xanthines and is used for reelieving breathing problems caused by bronchial asthma, chronic bronchitis, or emphysema.

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  CODE119221 CODE119221
  Product(s):
  M2073 3-Methylxanthine >98.0%(HPLC)(T)
  SDS

Name: 3-methyl-7H-purine-2,6-dione CAS Number: 1076-22-8 3D/inchi ECHA EINECS - REACH Pre-Reg: 214-058-1 FDA UNII: WS6X982OEC Nikkaji Web: J3.360J Beilstein Number: 0180944 MDL: MFCD00005580 XlogP3: -0.70 (est) Molecular Weight: 166.14022000 Formula: C6 H6 N4 O2 NMR Predictor: Predict (works with chrome, Edge or firefox) Category:information only not used for fragrances or flavors   US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information: Google Scholar: Search Google Books: Search Google Scholar: with word "volatile" Search Google Scholar: with word "flavor" Search Google Scholar: with word "odor" Search Google Patents: Search US Patents: Search EU Patents: Search Pubchem Patents: Search PubMed: Search NCBI: Search   Physical Properties: Assay: 95.00 to 100.00 Food Chemicals Codex Listed: No Soluble in:   water, 8394 mg/L @ 25 °C (est)   Organoleptic Properties: Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: BOC Sciences For experimental / research use only. Theophylline Impurity B > 95% Odor: characteristic Use: An impurity of Dyphylline which belongs to a class of drugs known as xanthines and is used for reelieving breathing problems caused by bronchial asthma, chronic bronchitis, or emphysema. Santa Cruz Biotechnology For experimental / research use only. 3-Methylxanthine ≥98% Sigma-Aldrich: Aldrich For experimental / research use only. 3-Methylxanthine 98% sds TCI AMERICA For experimental / research use only. 3-Methylxanthine >98.0%(HPLC)(T) sds   Safety Information: Preferred SDS: View   Hazards identification   Classification of the substance or mixture GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) None found. GHS Label elements, including precautionary statements   Pictogram   Hazard statement(s) None found. Precautionary statement(s) None found. Oral/Parenteral Toxicity: Not determined Dermal Toxicity: Not determined Inhalation Toxicity: Not determined   Safety in Use Information: Category: information only not used for fragrances or flavors Recommendation for 3-methyl xanthine usage levels up to:   not for fragrance use.   Recommendation for 3-methyl xanthine flavor usage levels up to:   not for flavor use.   Safety References: EPI System: View Chemical Carcinogenesis Research Information System:Search AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :70639 National Institute of Allergy and Infectious Diseases:Data WGK Germany:1 3-methyl-7H-purine-2,6-dione Chemidplus:0001076228 RTECS:ZD8750000 for cas# 1076-22-8   References:   3-methyl-7H-purine-2,6-dione NIST Chemistry WebBook: Search Inchi Pubchem (cid): 70639 Pubchem (cas): 1076-22-8   Other Information: (IUPAC): Atomic Weights of the Elements 2011 (pdf) Videos: The Periodic Table of Videos tgsc: Atomic Weights use for this web site (IUPAC): Periodic Table of the Elements CHEBI: View CHEMBL: View UM BBD: Search KEGG (GenomeNet): C16357 HMDB (The Human Metabolome Database): HMDB01886 FooDB: FDB022724 Export Tariff Code: 2934.99.4400 ChemSpider: View   Potential Blenders and core components note None Found   Potential Uses: None Found   Occurrence (nature, food, other):note   not found in nature   Synonyms: 3,7- dihydro-3-methyl-1H-purine-2,6-dione 3- methyl-7H-purine-2,6-dione 3- methylxanthine 1H- purine-2,6-dione, 3,7-dihydro-3-methyl- (9CI)   xanthine, 3-methyl-   Articles:   None found yet. Try the PubMed Search.

Notes: 3-Methylxanthine is a caffeine and a theophylline metabolite. (PMID 16870158, 16678550) CYP1A2 probably plays a major role in theophylline 8-hydroxylation at a therapeutic concentration after the full development of CYP1A2 activity in children (after 3 years old). (PMID 9890610) [HMDB]