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

  • 2-(1-methyl-1H-1,2,3-triazol-5-yl)piperidin-4-amine
  • 2-{1-[3-chloro-4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)phenyl]-N-(prop-2-en-1-yl)formamido}acetic acid
  • 2-(2-{4-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]-1H-1,2,3-triazol-1-yl}acetamido)-2-methylbutanoic acid
  • 4-{[(1-ethylpyrrolidin-3-yl)methyl]carbamoyl}-4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoic acid
  • (2R)-2-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanamido]-4-methylpentanoic acid
  • 2-[(2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-N-methylpropanamido]-2-methylpropanoic acid
  • 2-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-N-(prop-2-yn-1-yl)butanamido]acetic acid
  • 2-{1-[3-chloro-5-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)phenyl]-N-(prop-2-yn-1-yl)formamido}acetic acid
  • 2-{1-[3-chloro-5-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)phenyl]-N-propylformamido}acetic acid
  • 3-{[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-1,2,5-oxadiazol-3-yl]formamido}-3-methylbutanoic acid
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