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

Modify Date: 2024-01-08 23:42:36

7-[2-(Diethylamino)ethyl]-1,3-dimethylxanthine Structure
7-[2-(Diethylamino)ethyl]-1,3-dimethylxanthine structure
Common Name 7-[2-(Diethylamino)ethyl]-1,3-dimethylxanthine
CAS Number 314-35-2 Molecular Weight 279.33800
Density 1.24g/cm3 Boiling Point 460.2ºC at 760mmHg
Molecular Formula C13H21N5O2 Melting Point N/A
MSDS N/A Flash Point 232.1ºC

 Names

Name 7-[2-(Diethylamino)ethyl]-1,3-dimethylxanthine
Synonym More Synonyms

 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

~82%

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

7-[2-(Diethylam...

CAS#:314-35-2

Literature: Bram; Bensaid; Combet-Farnoux; et al. Pharmazie, 1986 , vol. 41, # 6 p. 431 - 432

 Precursor & DownStream

Precursor  2

DownStream  0

 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%

 Synonyms

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