8-[4-(1H-benzoimidazol-2-yl)butyl]-1,3-dimethyl-7H-purine-2,6-dione

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Names

[ CAS No. ]:
74039-64-8

[ Name ]:
8-[4-(1H-benzoimidazol-2-yl)butyl]-1,3-dimethyl-7H-purine-2,6-dione

Chemical & Physical Properties

[ Density]:
1.381g/cm3

[ Boiling Point ]:
718.4ºC at 760 mmHg

[ Molecular Formula ]:
C18H20N6O2

[ Molecular Weight ]:
352.39000

[ Flash Point ]:
388.3ºC

[ Exact Mass ]:
352.16500

[ PSA ]:
101.36000

[ LogP ]:
1.40200

[ Index of Refraction ]:
1.683

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH4600000
CHEMICAL NAME :
Theophylline, 8-(4-(2-benzimidazolyl)butyl)-
CAS REGISTRY NUMBER :
74039-64-8
LAST UPDATED :
198812
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C18-H20-N6-O2
MOLECULAR WEIGHT :
352.44
WISWESSER LINE NOTATION :
T56 BM DN FNVNVJ F1 H1 C4- CT56 BM DNJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
56 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#02452

Related Compounds

  • 2-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-methylpropanamido]-5-hydroxybenzoic acid
  • 5-Methyl-2-(5-methylthiophen-2-yl)pyrimidine-4-carboxylic acid
  • 2-(2-Methylpiperidin-4-yl)-1,3-thiazole-5-carboxylic acid
  • 3-[(3R)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)hexanamido]-2,2-dimethylpropanoic acid
  • 5-(5-Fluorofuran-2-yl)pyrazin-2-ol
  • 1-(2,2-diethoxyethyl)-5-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-1H-pyrazole-4-carboxylic acid
  • [(6-chloropyridin-3-yl)methyl][(3S)-2,2-dimethylpentan-3-yl]amine
  • 4-hydrazinyl-6-methyl-1H-pyrazolo[3,4-d]pyrimidine
  • 4-hydrazinyl-6-methyl-1-(2-methylpropyl)-1H-pyrazolo[3,4-d]pyrimidine
  • 1-cyclopropyl-4-hydrazinyl-6-methyl-1H-pyrazolo[3,4-d]pyrimidine
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