Theodrenaline

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Names

[ CAS No. ]:
13460-98-5

[ Name ]:
Theodrenaline

[Synonym ]:
7-{2-[2-(3,4-dihydroxyphenyl)-2-hydroxyethylamino]-ethyl}-theophylline
Theodrenalina [DCIT]
7-(2-(2-Hydroxy-2-(3,4-dihydroxyphenyl)ethylamino)ethyl)theophylline
Noradrenaline theophylline
7-{2-[2-(3,4-dihydroxy-phenyl)-2-hydroxy-ethylamino]-ethyl}-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
Theodrenalinum [INN-Latin]
theodrenaline
Norphedrinoethyltheophylline
D 470
Teodrenalina [INN-Spanish]

Chemical & Physical Properties

[ Density]:
1.51g/cm3

[ Boiling Point ]:
723.6ºC at 760mmHg

[ Molecular Formula ]:
C17H21N5O5

[ Molecular Weight ]:
375.37900

[ Flash Point ]:
391.4ºC

[ Exact Mass ]:
375.15400

[ PSA ]:
134.54000

[ Vapour Pressure ]:
5.61E-22mmHg at 25°C

[ Index of Refraction ]:
1.696

[ Storage condition ]:
2-8℃

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5098600
CHEMICAL NAME :
Theophylline, 7-(2-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)e thyl)-
CAS REGISTRY NUMBER :
13460-98-5
BEILSTEIN REFERENCE NO. :
0590101
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C17-H21-N5-O5
MOLECULAR WEIGHT :
375.43
WISWESSER LINE NOTATION :
T56 BN DN FNVNVJ B2N2QR CQ DQ& F1 H1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1140 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: 27,14,1977

Related Compounds

  • theodrenaline hydrochloride
  • 2-{[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-1,3-thiazol-5-yl]formamido}-3-hydroxy-2-methylpropanoic acid
  • 4-({2-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]-1,3-thiazol-5-yl}formamido)butanoic acid
  • 3-(1-{2-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]-1,3-thiazol-5-yl}-N-methylformamido)propanoic acid
  • N-ethyl-2-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
  • N-ethyl-2-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
  • 1-[4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]propan-1-ol
  • N-ethyl-2-[(propan-2-yloxy)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
  • N-ethyl-2-(1,3-thiazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
  • rac-(1R,2S)-2-({[1-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclohexyl]formamido}methyl)cyclopropane-1-carboxylic acid
  • rac-(1R,3S)-3-{[2-cyclopropyl-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)acetamido]methyl}-2,2-difluorocyclopropane-1-carboxylic acid
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