7-[2-(Diethylamino)ethyl]-1,3-dimethylxanthine

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Names

[ CAS No. ]:
314-35-2

[ Name ]:
7-[2-(Diethylamino)ethyl]-1,3-dimethylxanthine

[Synonym ]:
Ditenate
ETAFEDRINE
2-[ethyl(methyl)amino]-1-phenylpropan-1-ol hydrochloride(1:1)
Etafedrine HCl
Etafedrine hydrochloride [USAN]
7-(2-Diaethylamino-aethyl)-1,3-dimethyl-3,7-dihydro-purin-2,6-dion
2-N-ethyl-N-methylamino-1-phenylpropanol hydrochloride
7-(2-diethylamino-ethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
Etafedrine hydrochloride
etamiphylline
Nethamine
Nethamine (TN)
Soluphylline
7-[2-(diethylamino)ethyl]theophylline
Etafedrinhydrochlorid

Chemical & Physical Properties

[ Density]:
1.24g/cm3

[ Boiling Point ]:
460.2ºC at 760mmHg

[ Molecular Formula ]:
C13H21N5O2

[ Molecular Weight ]:
279.33800

[ Flash Point ]:
232.1ºC

[ Exact Mass ]:
279.17000

[ PSA ]:
65.06000

[ Index of Refraction ]:
1.605

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5095000
CHEMICAL NAME :
Theophylline, 7-(2-diethylamino)ethyl-
CAS REGISTRY NUMBER :
314-35-2
BEILSTEIN REFERENCE NO. :
0291098
LAST UPDATED :
199612
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C13-H21-N5-O2
MOLECULAR WEIGHT :
279.39
WISWESSER LINE NOTATION :
T56 BN DN FNVNVJ B2N2&2 F1 H1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
240 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Olfaction) - olfactory nerve change Behavioral - convulsions or effect on seizure threshold Cardiac - change in rate
REFERENCE :
HETOEA Human & Experimental Toxicology. (Macmillan Press Ltd., Brunel Road, Houndmills, Basingstoke, Hampshire, RG21 2XS, UK) V.9- 1990- Volume(issue)/page/year: 9,201,1990
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1237 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 116,343,1956
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
254 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 116,343,1956
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
182 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory stimulation
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 4,649,1954

Safety Information

[ HS Code ]:
2933990090

Synthetic Route

Precursor & DownStream

Precursor

  • Theophylline
  • 2-Chloro-N,N-diethylethanamine

DownStream

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

  • 7-[2-(diethylamino)ethyl]-1,3-dimethyl-6-sulfanylidenepurin-2-one,iodomethane
  • 7-[2-(diethylamino)ethyl]-1,3-dimethyl-6-sulfanylidenepurin-2-one,hydrochloride
  • 7-[2-(diethylamino)ethyl]-1,3-dimethylpurine-2,6-dione,pyridine-3-carboxylic acid
  • etamiphyllin hydrochloride
  • 7-[2-(diethylamino)ethyl]-8-[hydroxy(phenyl)methyl]-1,3-dimethylpurine-2,6-dione,hydrochloride
  • 7-[2-(diethylamino)ethyl]-3-methylpurine-2,6-dione
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 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
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • N-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]-2,2-diphenylacetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • N-[3-(2-oxopiperidin-1-yl)phenyl]-9H-xanthene-9-carboxamide
  • tert-Butyl-DL-alanine