1H-Purine-2,6-dione,3,7-dihydro-3,7-dimethyl-, hydriodide (1:1)

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Names

[ CAS No. ]:
17186-95-7

[ Name ]:
1H-Purine-2,6-dione,3,7-dihydro-3,7-dimethyl-, hydriodide (1:1)

[Synonym ]:
Theobromine,monohydriodide
Theobromide hydroiodide
3,7-Dimethylxanthine hydriodide

Chemical & Physical Properties

[ Density]:
1.6g/cm3

[ Molecular Formula ]:
C7H9IN4O2

[ Molecular Weight ]:
308.07600

[ Exact Mass ]:
307.97700

[ PSA ]:
72.68000

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH2471000
CHEMICAL NAME :
Theobromine, monohydriodide
CAS REGISTRY NUMBER :
17186-95-7
LAST UPDATED :
197901
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C7-H7-N4-O2.H-I
MOLECULAR WEIGHT :
307.09
WISWESSER LINE NOTATION :
T56 BN DN FNVNVJ B1 F1 H1 &IH

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 :
320 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#02979

Related Compounds

  • 1-(4-Hydroxyphenyl)-2-(methylsulfonyl)ethanone
  • 3-Bromo-7-hydroxy-2-isopropyl-chromen-4-one
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 2-Cyclohexyl-6-methylpyrimidine-4-carboxylic acid
  • 2-(3-Fluorophenyl)-4,5,6,7-tetrahydrooxazolo[4,5-C]pyridine
  • Tert-butyl 3-(4-fluorophenyl)propioloyl(methyl)carbamate
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol