Introduction：Basic information about CAS 50-39-5|protheobromine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | protheobromine |
|---|
| CAS Number | 50-39-5 | Molecular Weight | 238.24300 |
|---|
| Density | 1.46g/cm3 | Boiling Point | 493.1ºC at 760mmHg |
|---|
| Molecular Formula | C10H14N4O3 | Melting Point | / |
|---|
| MSDS | / | Flash Point | 252ºC |
|---|
Names
| Name | 1-(2-hydroxypropyl)-3,7-dimethylpurine-2,6-dione |
|---|
| Synonym | More Synonyms |
|---|
protheobromine BiologicalActivity
| Description | Protheobromine is a cardiotonic and bronchodilator |
|---|
| Related Catalog | Research Areas >>Cardiovascular DiseaseSignaling Pathways >>Others >>Others |
|---|
| References | [1]. D M Aviado, Pharmacology of pentoxifylline, a hemorheologic agent for the treatment of intermittent claudication. Angiology. 1984 Jul;35(7):407-17. |
|---|
Chemical & Physical Properties
| Density | 1.46g/cm3 |
|---|
| Boiling Point | 493.1ºC at 760mmHg |
|---|
| Molecular Formula | C10H14N4O3 |
|---|
| Molecular Weight | 238.24300 |
|---|
| Flash Point | 252ºC |
|---|
| Exact Mass | 238.10700 |
|---|
| PSA | 82.05000 |
|---|
| Index of Refraction | 1.664 |
|---|
| InChIKey | MXRGZXBFSKSZPH-UHFFFAOYSA-N |
|---|
| SMILES | CC(O)Cn1c(=O)c2c(ncn2C)n(C)c1=O |
|---|
Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- XH2387000
- CHEMICAL NAME :
- Theobromine, 1-(2-hydroxypropyl)-
- CAS REGISTRY NUMBER :
- 50-39-5
- BEILSTEIN REFERENCE NO. :
- 0263332
- LAST UPDATED :
- 199706
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C10-H14-N4-O3
- MOLECULAR WEIGHT :
- 238.28
- WISWESSER LINE NOTATION :
- T56 BN DN FNVNVJ B F H1YQ
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 780 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 6,457,1956
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 580 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 6,601,1956
|
Safety Information
Customs
| HS Code | 2933990090 |
|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
|---|
Synonyms
| 1-(2-Hydroxy-propyl)-3,7-dimethyl-3,7-dihydro-purin-2,6-dion |
| Bonicor |
| Theocor |
| 1-<2-Hydroxy-propyl>-3,7-dimethyl-xanthin |
| Pro-Cor |
| Corodil |
| Cordabromin |
| Pantobromino |
| Protheobromin |
| Vascopil |
| Cordaleromin |
| Protheobromine |
| 1-(2-hydroxy-propyl)-3,7-dimethyl-3,7-dihydro-purine-2,6-dione |
