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CAS No.: | 8064-90-2 |
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Name: | SMZ/TMP |
Molecular Structure: | |
Formula: | C14H18N4O3•C10H11N3O3S |
Molecular Weight: | 543.66 |
Synonyms: | Sulfamethoxazole/Trimethoprim;TRIMETHOPRIM/SULPHAMETHOXAZOLE;Chemitrim;SMZ/TMP;Trimethoprim-Sulfamethoxazole Combination;Septrim; |
Boiling Point: | 526°C at 760 mmHg |
Flash Point: | 271.9°C |
Safety: | Human poison by ingestion. Moderately toxic experimentally by ingestion and intraperitoneal routes. Human systemic effects by ingestion and intravenous routes: decreased urine volume or anuria, skin dermatitis, fever and other metabolic changes. When heated to decomposition it emits very toxic fumes of NOx and SOx. |
PSA: | 212.11000 |
LogP: | 5.52100 |
IUPAC Name: 5-[(3,4,5-Trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
Molecular Formula: C14H18N4O3
Molecular Weight: 290.32 g/mol
Canonical SMILES: COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N
InChI: InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
Classification Code: Anti-infective agents; Anti-infective agents, urinary; Antimalarials; Antiparasitic Agents; Antiprotozoal Agents; Drug / Therapeutic Agent; Human Data; Renal Agents
Index of Refraction: 1.608
Molar Refractivity: 80.25 cm3
Molar Volume: 231.8 cm3
Surface Tension: 53.9 dyne/cm
Density: 1.252 g/cm3
Flash Point: 271.9 °C
Enthalpy of Vaporization: 80.02 kJ/mol
Boiling Point: 526 °C at 760 mmHg
Vapour Pressure of Trimethoprim (CAS NO.8064-90-2): 3.74E-11 mmHg at 25 °C
Trimethoprim (CAS NO.8064-90-2) is a bacteriostatic antibiotic mainly used in the prophylaxis and treatment of urinary tract infections and was commonly used in a 1:5 combination with sulfamethoxazole, a sulfonamide antibiotic, which inhibits an earlier step in the folate synthesis pathway. It is used as monotherapy and indicated for the prophylaxis and treatment of urinary tract infections.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
child | TDLo | oral | 432mg/kg/9D-I (432mg/kg) | BLOOD: THROMBOCYTOPENIA | Southern Medical Journal. Vol. 76, Pg. 503, 1983. |
human | LDLo | oral | 274mg/kg/10D- (274mg/kg) | CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP LUNGS, THORAX, OR RESPIRATION: CYANOSIS KIDNEY, URETER, AND BLADDER: URINE VOLUME DECREASED | Lancet. Vol. 1, Pg. 831, 1978. |
man | TDLo | intravenous | 80mg/kg/4D-I (80mg/kg) | Annals of Internal Medicine. Vol. 103, Pg. 161, 1985. | |
man | TDLo | oral | 457mg/kg/5D-I (457mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD ENDOCRINE: HYPOGLYCEMIA | New York State Journal of Medicine. Vol. 84, Pg. 30, 1984. |
man | TDLo | unreported | 576mg/kg/1W-I (576mg/kg) | GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF ENDOCRINE PANCREAS | Annals of Internal Medicine. Vol. 104, Pg. 363, 1986.
|
mouse | LD50 | intraperitoneal | 2010mg/kg (2010mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA | Chemotherapy Vol. 21, Pg. 175, 1973. |
mouse | LD50 | oral | 3740mg/kg (3740mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION BEHAVIORAL: ATAXIA | Kiso to Rinsho. Clinical Report. Vol. 12, Pg. 2716, 1978. |
mouse | LD50 | subcutaneous | > 3gm/kg (3000mg/kg) | Chemotherapy Vol. 21, Pg. 175, 1973. | |
rat | LD50 | intraperitoneal | 1840mg/kg (1840mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Chemotherapy Vol. 21, Pg. 175, 1973. |
rat | LD50 | oral | 5350mg/kg (5350mg/kg) | SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Kiso to Rinsho. Clinical Report. Vol. 12, Pg. 2716, 1978. |
rat | LD50 | subcutaneous | > 3gm/kg (3000mg/kg) | Chemotherapy Vol. 21, Pg. 175, 1973. | |
women | TDLo | oral | 19mg/kg (19mg/kg) | LUNGS, THORAX, OR RESPIRATION: DYSPNEA LUNGS, THORAX, OR RESPIRATION: CYANOSIS | Annals of Internal Medicine. Vol. 106, Pg. 331, 1987. |
women | TDLo | oral | 22400ug/kg/7D (22.4mg/kg) | LIVER: "JAUNDICE, CHOLESTATIC" SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" | Postgraduate Medical Journal. Vol. 56, Pg. 202, 1980. |
Human poison by ingestion. Moderately toxic experimentally by ingestion and intraperitoneal routes. Human systemic effects by ingestion and intravenous routes: decreased urine volume or anuria, skin dermatitis, fever and other metabolic changes. When heated to decomposition it emits very toxic fumes of NOx and SOx.
Trimethoprim (CAS NO.8064-90-2), its Synonyms are Chemitrim ; Septrim ; SMZ/TMP ; Sulfamethoxazole/Trimethoprim ; Trimethoprim-Sulfamethoxazole Combination .