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8002-89-9

Basic Information
CAS No.: 8002-89-9
Name: THEOPHYLLINE SODIUM ACETATE
Molecular Structure:
Molecular Structure of 8002-89-9 (THEOPHYLLINE SODIUM ACETATE			)
Formula: C7H8N4O2•C2H4O2•Na
Molecular Weight: 263.24
Synonyms: THEOPHYLLINE SODIUM ACETATE;THEOPHYLLOL;aceticacid,sodiumsalt,compd.withtheophylline(1:1);aceticacid,sodiumsalt,mixt.with3,7-dihydro-1,3-dimethyl-1h-purine-2,6-d;acet-theocinsodium;ionesodiumsalt;theocinsoluble;theophylline,compd.withsodiumacetate(1:1)
EINECS:
Density:
Melting Point:
Boiling Point:
Flash Point:
Solubility:
Appearance:
Hazard Symbols:
Risk Codes:
Safety: Poison by ingestion, intraperitoneal, intravenous, and subcutaneous routes. When heated to decomposition it emits toxic fumes of NOx and Na2O. See also THEOPHYLLINE.
Transport Information:
PSA: 101.95000
LogP: -2.49770
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Chemistry

Product Name: Theophylline sodium acetate (CAS NO.8002-89-9)


Molecular Formula: C7H8N4O2•C2H4O2•Na
Molecular Weight: 263.24g/mol
Mol File: 8002-89-9.mol
Appearance: White, odorless, crystalline powder; bitter taste
H-Bond Donor: 1
H-Bond Acceptor: 5
Tautomer Count: 3
Topological Polar Surface Area: 109
Heavy Atom Count: 18
Complexity: 302
Covalently-Bonded Unit Count: 3

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 205mg/kg (205mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 230, Pg. 194, 1957.
guinea pig LD50 subcutaneous 180mg/kg (180mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 230, Pg. 194, 1957.
mouse LD50 intraperitoneal 184mg/kg (184mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Acta Pharmaceutica Jugoslavica. Vol. 24, Pg. 89, 1974.
mouse LD50 intravenous 257mg/kg (257mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 230, Pg. 194, 1957.
mouse LD50 subcutaneous 286mg/kg (286mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

BEHAVIORAL: TETANY

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 197, Pg. 193, 1941.
rat LD50 intravenous 311mg/kg (311mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 230, Pg. 194, 1957.
rat LD50 oral 583mg/kg (583mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 230, Pg. 194, 1957.
rat LD50 subcutaneous 188mg/kg (188mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 230, Pg. 194, 1957.

Safety Profile

Poison by ingestion, intraperitoneal, intravenous, and subcutaneous routes. When heated to decomposition it emits toxic fumes of NOx and Na2O. See also THEOPHYLLINE.

Specification

 Theophylline sodium acetate ,its CAS NO. is 8002-89-9,the synonyms is Acet-theocin sodium ; Theacitin ; Theocin soluble ; 
 Acetic acid, sodium salt, mixt. with 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione sodium salt ; Theophylline, compd. with sodium acetate (1:1) ; Theophylline, sodium acetate ; Theophyllinum natrium aceticum ; UNII-88AO1K4HJ3 .