Pentifylline

Modify Date: 2025-08-23 09:54:53

Pentifylline Structure
Pentifylline structure
Common Name Pentifylline
CAS Number 1028-33-7 Molecular Weight 264.32300
Density 1.23g/cm3 Boiling Point 452.5ºC at 760mmHg
Molecular Formula C13H20N4O2 Melting Point 80-81°C
MSDS N/A Flash Point 227.5ºC

 Use of Pentifylline


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].

 Names

Name 1-n-hexyltheobromine
Synonym More Synonyms

 Pentifylline Biological Activity

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].
Related Catalog
References

[1]. Bath PM, et al. Pentoxifylline, propentofylline and pentifylline for acute ischaemic stroke. Cochrane Database Syst Rev. 2004;(3):CD000162.

 Chemical & Physical Properties

Density 1.23g/cm3
Boiling Point 452.5ºC at 760mmHg
Melting Point 80-81°C
Molecular Formula C13H20N4O2
Molecular Weight 264.32300
Flash Point 227.5ºC
Exact Mass 264.15900
PSA 61.82000
LogP 1.01400
Vapour Pressure 2.23E-08mmHg at 25°C
Index of Refraction 1.602

 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 DATA

ACUTE 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

 Safety Information

Hazard Codes Xi: Irritant;Xn: Harmful;
Risk Phrases R22
Safety Phrases S22-S36/37-S36
RTECS UO8450000
HS Code 2933990090

 Synthetic Route

~87%

Pentifylline Structure

Pentifylline

CAS#:1028-33-7

Literature: Larsen, Aaron T.; May, Erin M.; Auclair, Karine Journal of the American Chemical Society, 2011 , vol. 133, # 20 p. 7853 - 7858

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Pentifylline Structure

Pentifylline

CAS#:1028-33-7

Literature: DE860217 , ; DRP/DRBP Org.Chem.

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Pentifylline Structure

Pentifylline

CAS#:1028-33-7

Literature: DE860217 , ; DRP/DRBP Org.Chem.

 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-hexyl-3,7-dimethylpurine-2,6-dione
EINECS 213-842-0
MFCD00041424
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