CAS 519-37-9|7-(2-Hydroxyethyl)theophylline

Introduction：Basic information about CAS 519-37-9|7-(2-Hydroxyethyl)theophylline, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. 7-(2-Hydroxyethyl)theophylline BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Customs
7. Articles28
8. Synonyms

Common Name	7-(2-Hydroxyethyl)theophylline
CAS Number	519-37-9	Molecular Weight	224.21700
Density	1.51g/cm3	Boiling Point	495.5ºC at 760mmHg
Molecular Formula	C₉H₁₂N₄O₃	Melting Point	163°C
MSDS	ChineseUSA	Flash Point	253.5ºC
Symbol	GHS07	Signal Word	Warning

Names

Name	7-(2-Hydroxyethyl)theophylline
Synonym	More Synonyms

7-(2-Hydroxyethyl)theophylline BiologicalActivity

Description	Etofylline is a vasodilator.
Related Catalog	Signaling Pathways >>Others >>OthersResearch Areas >>Cardiovascular Disease

Chemical & Physical Properties

Density	1.51g/cm3
Boiling Point	495.5ºC at 760mmHg
Melting Point	163°C
Molecular Formula	C₉H₁₂N₄O₃
Molecular Weight	224.21700
Flash Point	253.5ºC
Exact Mass	224.09100
PSA	82.05000
Appearance of Characters	solid \| white
Index of Refraction	1.683
InChIKey	NWPRCRWQMGIBOT-UHFFFAOYSA-N
SMILES	Cn1c(=O)c2c(ncn2CCO)n(C)c1=O
Storage condition	Refrigerator
Water Solubility	H2O: Solutions may be stored for several days at 4°C.soluble

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XH5850000

CHEMICAL NAME :: Theophylline, 7-(2-hydroxyethyl)-

CAS REGISTRY NUMBER :: 519-37-9

BEILSTEIN REFERENCE NO. :: 0251760

LAST UPDATED :: 199612

DATA ITEMS CITED :: 8

MOLECULAR FORMULA :: C9-H12-N4-O3

MOLECULAR WEIGHT :: 224.25

WISWESSER LINE NOTATION :: T56 BN DN FNVNVJ B2Q F1 H1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 710 mg/kg

TOXIC EFFECTS :: Liver - other changes

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 30,2023,1980

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 176 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 230,194,1957

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 486 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 230,194,1957

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 400 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: 27,1173,1977

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 400 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: 8,190,1958

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 400 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory stimulation Skin and Appendages - sweating

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

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 344 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 230,194,1957 ** REPRODUCTIVE DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 90 gm/kg

SEX/DURATION :: female 90 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Maternal Effects - uterus, cervix, vagina

REFERENCE :: YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 8,383,1980

Safety Information

Symbol	GHS07
Signal Word	Warning
Hazard Statements	H302
Precautionary Statements	P301 + P312 + P330
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes	Xn,Xi
Risk Phrases	R22
Safety Phrases	S36
RIDADR	NONH for all modes of transport
WGK Germany	3
RTECS	XH5850000
HS Code	2933990090

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%

Articles28

Insights into binding modes of adenosine A(2B) antagonists with ligand-based and receptor-based methods.

Eur. J. Med. Chem. 45 , 3459-71, (2010)

Ligand-based and receptor-based methods were used to investigate the binding modes of human adenosine A(2B) antagonists. At first, pharmacophore models were developed based on 140 diverse A(2B) antago...

A simple and rapid HPLC/UV method for the simultaneous quantification of theophylline and etofylline in human plasma.

J. Chromatogr. B. Analyt. Technol. Biomed. Life Sci. 848(2) , 271-6, (2007)

A simple, sensitive and selective high performance liquid chromatography (HPLC) method with ultraviolet detection (272 nm) was developed and validated for the simultaneous quantification of theophylli...

Convulsant effects of some xanthine derivatives in genetically epilepsy-prone rats.

Naunyn Schmiedebergs Arch. Pharmacol. 356(1) , 48-55, (1997)

The behavioural and electrocorticographic (ECoG) convulsant effects of several xanthine derivatives injected intraperitoneally (i.p.) were studied in genetically-epilepsy prone rats. The aim of the st...

Synonyms

1,3-Dimethyl-7-(2-hydroxyethyl)xanthine

7-(2-Hydroxyethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione

EINECS 208-269-8

MFCD00055055

7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione

Etofylline

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