3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione, sodium salt

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Names

[ CAS No. ]:
1010-59-9

[ Name ]:
3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione, sodium salt

[Synonym ]:
3-octadecylsulfanyl-propane-1,2-diol
Theobromin-natrium
1-S-octadecyl-rac-thioglycerol
Thiobatylalkohol
1-sodiotheobromine
octadecylthio-1 propanediol-2,3
sodium theobromine
(+-)-2.3-Dihydroxypropyl-octadecyl-sulfid
1-octadecylthio-rac-glycerol
2.3-Dihydroxypropyl-octadecan-sulfid
DL-thiobatyl alcohol
theobromine sodium salt

Chemical & Physical Properties

[ Molecular Formula ]:
C7H7N4NaO2

[ Molecular Weight ]:
202.14600

[ Exact Mass ]:
202.04700

[ PSA ]:
61.82000

[ Vapour Pressure ]:
1.23E-10mmHg at 25°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH2525000
CHEMICAL NAME :
Theobromine, sodium salt
CAS REGISTRY NUMBER :
1010-59-9
LAST UPDATED :
198609
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C7-H8-N4-O2.Na
MOLECULAR WEIGHT :
203.18

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
600 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - excitement Lungs, Thorax, or Respiration - cyanosis
REFERENCE :
THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 6,211,1951

Safety Information

[ HS Code ]:
2933990090

Precursor & DownStream

Precursor

DownStream

  • 1-(2-Hydroxyethyl)-3,7-dimethylxanthine
  • 1-(3-Bromopropyl)theobromine
  • 1-[2-(diethylamino)ethyl]-3,7-dimethylpurine-2,6-dione
  • 1-(3-Hydroxypropyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione

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%

Related Compounds

  • 3-(5-Formyl-4-methylpyridin-3-yl)prop-2-ynoic acid
  • 5-(3-aminopropoxy)-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
  • [1-(2-tert-butyl-2H-1,2,3,4-tetrazol-5-yl)cyclopropyl]methanamine
  • 3-(3-Fluoro-5-formyl-4-hydroxyphenyl)prop-2-ynoic acid
  • (2S)-1-[1-(cyclopropylmethyl)-1H-1,2,3-triazol-4-yl]propan-2-amine
  • 2-Fluoro-2-[2-(pyrrolidin-1-yl)phenyl]ethan-1-amine
  • 2-[1-(2-aminoethyl)cyclopropyl]-N,N-dimethylaniline
  • 3-(2-Cyclopropyl-1,3-thiazol-4-yl)-2,2-dimethylpropan-1-amine
  • 2-Fluoro-2-(2-methoxy-5-nitrophenyl)ethan-1-amine
  • 4-(1H-1,2,3,4-tetrazol-1-yl)butan-2-amine
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