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Theobromine

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For Research Use Only | Not For Clinical Use
CATAPS83670
CAS83-67-0
Structure
MDL NumberMFCD00022830
SynonymsPentoxifylline Imp. A (EP), Theobromine, Theophylline-Ethylenediamine Anhydrous Imp. G (EP),Caffeine Imp. D (EP), Theophylline-Ethylenediamine Imp. G (EP)
IUPAC Name3,7-dimethylpurine-2,6-dione
Molecular Weight180.16
Molecular FormulaC7H8N4O2
EC Number201-494-2
Canonical SMILESCN1C(=O)NC(=O)c2c1ncn2C
InChIInChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)
InChI KeyYAPQBXQYLJRXSA-UHFFFAOYSA-N
REAXYS Number16464
DescriptionPharmaceutical Secondary Standard; Certified Reference Material
Accurate Mass180.0647
FormatNeat
Gradecertified reference material; pharmaceutical secondary standard
MP345-350 °C
Size100MG
  • Verification code
CATSizeShippingStorage ConditionsDescription
APS83670-25MG 25MG Room Temperature 2-8°C Fridge/Coldroom Subcategory: European Pharmacopoeia (Ph. Eur.); API Family: Matrix - API Family See respective official monograph(s); Product Type: API Inquiry
APS83670-100MG 100MG Room Temperature +5°C Subcategory: Stimulants, Mikromol, Cardiac drugs and beta blockers, API standards, Impurity standards, Respiratory drugs; API Family: Matrix - API Family Caffeine; Theobromine; Pentoxifylline; Theophylline-Ethylenediamine; Product Type: API/ Impurity Inquiry
APS83670-1G 1G Room Temperature 2-8°C Fridge/Coldroom Subcategory: Food additives, flavours and adulterants; Product Type: Metabolite Inquiry
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