Pentifylline

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Names

[ CAS No. ]:
1028-33-7

[ Name ]:
Pentifylline

[Synonym ]:
1-hexyl-3,7-dimethylpurine-2,6-dione
EINECS 213-842-0
MFCD00041424

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

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Theobromine
  • 1-Bromohexane
  • chlorohexane

DownStream

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%

Related Compounds

  • 1-(1-Ethynylcyclopropyl)-1-methylcyclopropane
  • rac-(1R,3S)-3-tert-butyl-2,2-dimethylcyclopropane-1-carboxylic acid
  • 3-(1-Isocyanatocyclopropyl)-1-benzothiophene
  • 1-(4-Fluoro-3-methoxyphenyl)ethane-1,2-diol
  • 2-(1-Benzothiophen-2-yl)-2-methylpropan-1-ol
  • 4-Fluoro-2-methoxy-1-(2-methylbut-3-yn-2-yl)benzene
  • O-[2-(5-methylpyridin-2-yl)ethyl]hydroxylamine
  • [(3-Acetamidobutyl)carbamoyl]formic acid
  • O-{[1-(4-methylnaphthalen-1-yl)cyclopropyl]methyl}hydroxylamine
  • 1-methyl-5-(4-methyl-1H-imidazol-5-yl)-1H-pyrazol-4-amine
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