Introduction：Basic information about CAS 1028-33-7|Pentifylline, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Pentifylline |
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| CAS Number | 1028-33-7 | Molecular Weight | 264.32300 |
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| Density | 1.23g/cm3 | Boiling Point | 452.5ºC at 760mmHg |
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| Molecular Formula | C13H20N4O2 | Melting Point | 80-81°C |
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| MSDS | / | Flash Point | 227.5ºC |
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Names
| Name | 1-n-hexyltheobromine |
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| Synonym | More Synonyms |
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Pentifylline BiologicalActivity
| Description | Pentifylline is a vasodilator. Pentifylline inhibits platelet aggregation and thromboxane A2 synthesis, decrease the release of free radicals. Pentifylline has the potential for the research of acute ischaemic stroke[1]. |
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| Related Catalog | Research Areas >>Cardiovascular DiseaseSignaling Pathways >>Others >>Others |
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| References | [1]. Bath PM, et al. Pentoxifylline, propentofylline and pentifylline for acute ischaemic stroke. Cochrane Database Syst Rev. 2004;(3):CD000162. |
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Chemical & Physical Properties
| Density | 1.23g/cm3 |
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| Boiling Point | 452.5ºC at 760mmHg |
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| Melting Point | 80-81°C |
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| Molecular Formula | C13H20N4O2 |
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| Molecular Weight | 264.32300 |
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| Flash Point | 227.5ºC |
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| Exact Mass | 264.15900 |
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| PSA | 61.82000 |
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| LogP | 1.01400 |
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| Vapour Pressure | 2.23E-08mmHg at 25°C |
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| Index of Refraction | 1.602 |
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| InChIKey | MRWQRJMESRRJJB-UHFFFAOYSA-N |
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| SMILES | CCCCCCn1c(=O)c2c(ncn2C)n(C)c1=O |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- UO8450000
- CHEMICAL NAME :
- 1H-Purine-2,6-dione, 3,7-dihydro-1-hexyl-3,7-dimethyl-
- CAS REGISTRY NUMBER :
- 1028-33-7
- BEILSTEIN REFERENCE NO. :
- 0270632
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C13-H20-N4-O2
- MOLECULAR WEIGHT :
- 264.37
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1040 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- YKYUA6 Yakkyoku. Pharmacy. (Nanzando, 4-1-11, Yushima, Bunkyo-ku, Tokyo, Japan) V.1- 1950- Volume(issue)/page/year: 24,431,1973
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Safety Information
| Hazard Codes | Xi: Irritant;Xn: Harmful; |
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| Risk Phrases | R22 |
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| Safety Phrases | S22-S36/37-S36 |
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| RTECS | UO8450000 |
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| HS Code | 2933990090 |
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Customs
| HS Code | 2933990090 |
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| 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% |
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Synonyms
| 1-hexyl-3,7-dimethylpurine-2,6-dione |
| EINECS 213-842-0 |
| MFCD00041424 |
