8-heptylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione

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Names

[ CAS No. ]:
73908-75-5

[ Name ]:
8-heptylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione

[Synonym ]:
8-Heptylthiotheophyline

Chemical & Physical Properties

[ Density]:
1.27g/cm3

[ Boiling Point ]:
502ºC at 760 mmHg

[ Molecular Formula ]:
C14H22N4O2S

[ Molecular Weight ]:
310.41500

[ Flash Point ]:
257.4ºC

[ Exact Mass ]:
310.14600

[ PSA ]:
97.98000

[ LogP ]:
2.02280

[ Index of Refraction ]:
1.598

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5635000
CHEMICAL NAME :
Theophylline, 8-heptylthio-
CAS REGISTRY NUMBER :
73908-75-5
LAST UPDATED :
197901
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C14-H22-N4-O2-S
MOLECULAR WEIGHT :
310.46
WISWESSER LINE NOTATION :
T56 BM DN FNVNVJ CS7 F1 H1

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 :
100 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#04407

Related Compounds

  • 1H-Purine-2,6-dithione,8-(heptylthio)-3,9-dihydro-1,3-dimethyl-
  • 8-ethylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione
  • 8-chloro-1,3-dimethyl-7H-purine-2,6-dione,N,N-dimethyl-3-phenothiazin-10-ylpropan-1-amine
  • 8-bromo-1,3-dimethyl-7H-purine-2,6-dione; 1-phenylethanamine
  • 8-(anilinomethyl)-1,3-dimethyl-7H-purine-2,6-dione
  • 8-(aminomethyl)-1,3-dimethyl-7H-purine-2,6-dione
  • 3-Amino-N-(1-hydroxymethyl-cyclopentyl)-benzenesulfonamide
  • 4-[Bis(tert-butoxycarbonyl)amino]-6-methylpyridine
  • 3-(4-Ethoxyphenyl)butan-1-amine
  • (2S,3S)-2-Hydroxy-3-[[(1S)-1-phenylethyl](phenylmethyl)amino]heptanoic acid
  • 5-Fluoro-I+/--3-thienyl-3-pyridinemethanol
  • 3-[(3-Bromobenzylidene)amino]-2-fluorobenzoic acid methyl ester
  • 2-Ethylimidazo[1,2-a]pyridine-6-carbonitrile
  • 5-(Methoxymethyl)pyridine-2-carboxylic acid
  • tert-Butyl (R)-(5-(5-amino-2-fluorophenyl)-2,5-dimethyl-1,1-dioxido-5,6-dihydro-2H-1,2,4-thiadiazin-3-yl)carbamate
  • N-[4-(2-bromobutanoyl)phenyl]acetamide
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