Acefylline

Modify Date: 2024-01-05 16:58:15

Acefylline Structure
Acefylline structure
Common Name Acefylline
CAS Number 652-37-9 Molecular Weight 238.200
Density 1.6±0.1 g/cm3 Boiling Point 555.7±56.0 °C at 760 mmHg
Molecular Formula C9H10N4O4 Melting Point 270-272 °C
MSDS N/A Flash Point 289.9±31.8 °C

 Use of Acefylline


Acefylline is an adenosine receptor antagonist.

 Names

Name Theophylline-7-Acetic Acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.6±0.1 g/cm3
Boiling Point 555.7±56.0 °C at 760 mmHg
Melting Point 270-272 °C
Molecular Formula C9H10N4O4
Molecular Weight 238.200
Flash Point 289.9±31.8 °C
Exact Mass 238.070206
PSA 99.12000
LogP -0.49
Vapour Pressure 0.0±1.6 mmHg at 25°C
Index of Refraction 1.714
Storage condition Refrigerator

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UO7451300
CHEMICAL NAME :
Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-
CAS REGISTRY NUMBER :
652-37-9
BEILSTEIN REFERENCE NO. :
0279221
LAST UPDATED :
199612
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C9-H10-N4-O4
MOLECULAR WEIGHT :
238.23

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 :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4035366
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4035366
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2733 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 :
1180 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 :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4035366

 Safety Information

Hazard Codes Xi:Irritant;
Risk Phrases R36/37/38
Safety Phrases S26-S36
WGK Germany 2
RTECS UO7451300

 Synonyms

7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-
EINECS 211-490-2
MFCD00022832
7-Theophyllinylacetic acid
7-Theophyllineacetic acid
Acefylline
1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetic Acid
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid
Carboxymethyltheophylline
acetyloxytheophylline
theophylline-7-acetic acid
acephylline
7-(Carboxymethyl)theophylline
(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetic acid
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