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| CAS No.: | 8002-89-9 |
|---|---|
| Name: | THEOPHYLLOL |
| Molecular Structure: | |
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| 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) |
| Safety: | Poison by ingestion, intraperitoneal, intravenous, and subcutaneous routes. When heated to decomposition it emits toxic fumes of NOx and Na2O. See also THEOPHYLLINE. |
| 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 .