Synonym: 1,3,9-Trimethylxanthine; 1,3,9-TRIMETHYL-3,9-DIHYDRO -1H-PURINE-2,6-DIONE; 2,6-Dihydroxy-1,3,9-trimethylpurine; Isocaffeine
CAS Number: 519-32-4
Empirical Formula (Hill Notation): C8H10N4O2
Molecular Weight: 194.19
MDL Number: MFCD00022834
Linear Formula: C8H10N4O2
Product Type: Chemical
| API family |
caffeine |
| application(s) |
pharmaceutical (small molecule) |
| CofA |
current certificate can be downloaded |
| format |
neat |
| grade |
certified reference material |
| |
pharmaceutical secondary standard |
| InChI |
1S/C8H10N4O2/c1-10-4-9-5-6(10)11(2)8(14)12(3)7(5)13/h4H,1-3H3 |
| InChI key |
LPHGQDQBBGAPDZ-UHFFFAOYSA-N |
| packaging |
pkg of 50 mg |
| Quality Level |
300  |
| SMILES string |
CN1C(=O)N(C)c2c(ncn2C)C1=O |
| storage temp. |
2-30°C |
| Analysis Note: |
These secondary standards offer multi-traceability to the USP, EP and BP primary standards, where they are available. |
| Application: |
These Secondary Standards are qualified as Certified Reference Materials. These are suitable for use in several analytical applications including but not limited to pharma release testing, pharma method development for qualitative and quantitative analyses, food and beverage quality control testing, and other calibration requirements. |
| Biochem/physiol Actions: |
1,3,9-Trimethylxanthine is an adenosine receptor antagonist. |
| Footnote: |
To see an example of a Certificate of Analysis for this material enter LRAB4747 in the Documents slot below. This is an example certificate only and may not be the lot that you receive. |
| General description: |
Pharmaceutical secondary standards for application in quality control provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards |
| Other Notes: |
This Certified Reference Material (CRM) is produced and certified in accordance with ISO 17034 and ISO/IEC 17025. All information regarding the use of this CRM can be found on the certificate of analysis. |
| Recommended products: |
Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial . |
| RIDADR |
NONH for all modes of transport |
| WGK Germany |
WGK 3 |
| Flash Point(F) |
Not applicable |
| Flash Point(C) |
Not applicable |
| Storage Temp. |
2-30°C |
| UNSPSC |
41106305 |
