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| CAS No.: | 18179-67-4 |
|---|---|
| Name: | Sulfamethoxydiazine |
| Molecular Structure: | |
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|
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| Formula: | C11H12 N4 O3 S . Na |
| Molecular Weight: | 302.31 |
| Synonyms: | Benzenesulfonamide,4-amino-N-(5-methoxy-2-pyrimidinyl)-, monosodium salt (9CI); Sulfanilamide,N1-(5-methoxy-2-pyrimidinyl)-, monosodium salt (8CI); Sodium sulfametin |
| Density: | g/cm3 |
| Boiling Point: | 539.4°Cat760mmHg |
| Flash Point: | 280°C |
| Safety: | Moderately toxic by ingestion, intraperitoneal, and intravenous routes. An antibacterial agent. When heated to decomposition it emits very toxic fumes of NOx, Na2O, and SOx. See also SULFONATES. |
| PSA: | 103.55000 |
| LogP: | 3.12350 |
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Chemistry
Product Name: Sulfamethoxydiazine sodium (CAS NO.18179-67-4)
Molecular Formula: C11H11N4O3S•Na
Molecular Weight: 302.31g/mol
Mol File: 18179-67-4.mol
Boiling point: 539.4 °C at 760 mmHg
Flash Point: 280 °C
Enthalpy of Vaporization: 81.68 kJ/mol
Vapour Pressure: 1.05E-11 mmHg at 25°C
H-Bond Donor: 2
H-Bond Acceptor: 7
Structure Descriptors of Sulfamethoxydiazine sodium (CAS NO.18179-67-4):
IUPAC Name: sodium [4-[(5-methoxypyrimidin-2-yl)sulfamoyl]phenyl]azanide
Canonical SMILES: COC1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)[NH-].[Na+]
InChI: InChI=1S/C11H11N4O3S.Na/c1-18-9-6-13-11(14-7-9)15-19(16,17)10-4-2-8(12)3-5-10;/h2-7,12H,1H3,(H,13,14,15);/q-1;+1
InChIKey: FRLJPXLANPCKLP-UHFFFAOYSA-N
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 1500mg/kg (1500mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 695, 1961. | |
| mouse | LD50 | intravenous | 1100mg/kg (1100mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 695, 1961. |
| mouse | LD50 | oral | 3gm/kg (3000mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 695, 1961. | |
| rabbit | LD50 | intravenous | 100mg/kg (100mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 695, 1961. | |
| rat | LD50 | intraperitoneal | 1100mg/kg (1100mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 695, 1961. | |
| rat | LD50 | intravenous | 1200mg/kg (1200mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 695, 1961. | |
| rat | LD50 | oral | 1gm/kg (1000mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 695, 1961. |
Safety Profile
Moderately toxic by ingestion, intraperitoneal, and intravenous routes. An antibacterial agent. When heated to decomposition it emits very toxic fumes of NOx, Na2O, and SOx. See also SULFONATES.
Specification
Sulfamethoxydiazine sodium ,its CAS NO. is 18179-67-4,the synonyms is 2-(p-Aminobenzenesulfonamido)-5-methoxypyrimidine sodium salt ; 2-Sulfanilamido-5-methoxypyrimidine sodium salt ; 4-Amino-N-(5-methoxy-2-pyrimidinyl)benzenesulfonamide sodium salt ; 5-Methoxysulfadiazine sodium ; Methoxypyrimal sodium ; N(sup 1)-(5-Methoxy-2-pyrimidinyl)sulfanilamide, sodium salt ; Sulfa-5-methoxypyrimidine sodium salt ; Sulfameter sodium ; Sulfanilamide, N(sup 1)-(5-methoxy-2-pyrimidinyl)-, sodium salt .