8-Cyclopentyl-1,3-dimethylxanthine
Names
[ CAS No. ]:
35873-49-5
[ Name ]:
8-Cyclopentyl-1,3-dimethylxanthine
[Synonym ]:
8-Cyclopentyltheophylline CPT
8-Cyclopentyl-1,3-dimethylxanthine
8-Cyclopentyl theophylline
Theophylline,8-cyclopentyl
cyclopentyl teophylline
1,3-dimethyl-8-cyclopentylxanthine
Xanthine,8-cyclopentyl-1,3-dimethyl
8-cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
Biological Activity
[Description]:
[Related Catalog]:
[Target]
Ki: 10.9 nM (A1 receptor), 1440 nM (A2 receptor)[1]
[References]
Chemical & Physical Properties
[ Density]:
1.332g/cm3
[ Boiling Point ]:
513.1ºC at 760mmHg
[ Melting Point ]:
250-252ºC
[ Molecular Formula ]:
C12H16N4O2
[ Molecular Weight ]:
248.28100
[ Flash Point ]:
264.1ºC
[ Exact Mass ]:
248.12700
[ PSA ]:
72.68000
[ LogP ]:
0.61790
[ Index of Refraction ]:
1.607
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XH5093600
- CHEMICAL NAME :
- Theophylline, 8-cyclopentyl-
- CAS REGISTRY NUMBER :
- 35873-49-5
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C12-H16-N4-O2
- MOLECULAR WEIGHT :
- 248.32
- WISWESSER LINE NOTATION :
- T56 BM DN FNVNVJ F1 H1 C- AL5TJ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 200 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 14,1202,1971
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 18 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#06862
Safety Information
[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
[ RIDADR ]:
NONH for all modes of transport
[ WGK Germany ]:
3
[ RTECS ]:
XH5093600
[ HS Code ]:
2933990090
Precursor & DownStream
Precursor
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%
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