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50-39-5

50-39-5 structure
50-39-5 structure
  • Name: protheobromine
  • Chemical Name: 1-(2-hydroxypropyl)-3,7-dimethylpurine-2,6-dione
  • CAS Number: 50-39-5
  • Molecular Formula: C10H14N4O3
  • Molecular Weight: 238.24300
  • Catalog: API Antibiotics Penicillin
  • Create Date: 2018-08-28 20:08:07
  • Modify Date: 2024-01-12 00:50:09
  • Protheobromine is a cardiotonic and bronchodilator

Name 1-(2-hydroxypropyl)-3,7-dimethylpurine-2,6-dione
Synonyms 1-(2-Hydroxy-propyl)-3,7-dimethyl-3,7-dihydro-purin-2,6-dion
Bonicor
Theocor
1-<2-Hydroxy-propyl>-3,7-dimethyl-xanthin
Pro-Cor
Corodil
Cordabromin
Pantobromino
Protheobromin
Vascopil
Cordaleromin
Protheobromine
1-(2-hydroxy-propyl)-3,7-dimethyl-3,7-dihydro-purine-2,6-dione
Density 1.46g/cm3
Boiling Point 493.1ºC at 760mmHg
Molecular Formula C10H14N4O3
Molecular Weight 238.24300
Flash Point 252ºC
Exact Mass 238.10700
PSA 82.05000
Index of Refraction 1.664

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH2387000
CHEMICAL NAME :
Theobromine, 1-(2-hydroxypropyl)-
CAS REGISTRY NUMBER :
50-39-5
BEILSTEIN REFERENCE NO. :
0263332
LAST UPDATED :
199706
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C10-H14-N4-O3
MOLECULAR WEIGHT :
238.28
WISWESSER LINE NOTATION :
T56 BN DN FNVNVJ B F H1YQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
780 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 6,457,1956
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
580 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 6,601,1956
HS Code 2933990090

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50-39-5 structure

50-39-5

Literature: Cavallaro, Rosaria A.; Filocamo, Luigi; Galuppi, Annamaria; Galione, Antony; Brufani, Mario; Genazzani, Armando A. Journal of Medicinal Chemistry, 1999 , vol. 42, # 14 p. 2527 - 2534

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50-39-5 structure

50-39-5

Literature: Cavallaro, Rosaria A.; Filocamo, Luigi; Galuppi, Annamaria; Galione, Antony; Brufani, Mario; Genazzani, Armando A. Journal of Medicinal Chemistry, 1999 , vol. 42, # 14 p. 2527 - 2534

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50-39-5 structure

50-39-5

Literature: Roth Archiv der Pharmazie (Weinheim, Germany), 1959 , vol. 292, p. 234,236,237 Full Text Show Details Eckstein; Gorczyca Dissertationes Pharmaceuticae, 1962 , vol. 14, p. 393,-399 Chem.Abstr., 1963 , vol. 59, # 13978

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50-39-5 structure

50-39-5

Literature: Eckstein; Gorczyca Dissertationes Pharmaceuticae, 1962 , vol. 14, p. 393,-399 Chem.Abstr., 1963 , vol. 59, # 13978

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50-39-5 structure

50-39-5

Literature: Fabbrini; Cencioni Farmaco, Edizione Scientifica, 1962 , vol. 17, p. 660,665
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%