8-Cyclopentyl-1,3-dimethylxanthine

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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

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

Click to get detail 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

  • 5,6-Diamino-1,3-Dimethyluracil
  • Cyclopentanecarboxylic acid

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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Related Compounds

  • DPCPX
  • Dipropylcyclopentylxanthine
  • 8-cyclopentyl-7-methyl-1,3-dipropylpurine-2,6-dione
  • 8-cyclopentyl-7,9-dioxa-8-borabicyclo[4.3.0]nona-1,3,5-triene
  • 8-cyclopentyl-5-Methyl-2-(Methylthio)pyrido[2,3-d]pyrimidin-7(8H)-one
  • 8-(1-hydroxy-cyclopentyl)-1,3-dimethyl-3,7(9)-dihydro-purine-2,6-dione