Basic information
- Name:
Benzenesulfonamide,4-amino-N-(6-methoxy-4-pyrimidinyl)-, sodium salt (1:1)
- Superlist Name:
- Sulfamonomethoxine sodium
- CAS No.:
38006-08-5
- Molecular Structure:
- Formula:
- C11H12N4NaO3S
- Molecular Weight:
- 303.05
- Synonyms:
- Benzenesulfonamide,4-amino-N-(6-methoxy-4-pyrimidinyl)-, monosodium salt (9CI);Sodiumsulfamonomethoxine;Sulfamonomethoxine sodium salt;4-Methoxy-6-sulfanilamidopyrimidine sodium salt;
- Boiling Point:
- 513.2 °C at 760 mmHg
- Flash Point:
- 264.2 °C
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Specification
This product is an organic compound with the formula C11H12N4NaO3S. The systematic name of this chemical is Benzenesulfonamide,4-amino-N-(6-methoxy-4-pyrimidinyl)-, sodium salt (1:1). With the CAS registry number 38006-08-5, it is also named as 4-Methoxy-6-sulfanilamidopyrimidine sodium salt. In addition, the molecular weight is 303.05. Its classification code is Drug / Therapeutic Agent. It is a long acting sulfonamide antibacterial agent.
Physical properties of Benzenesulfonamide,4-amino-N-(6-methoxy-4-pyrimidinyl)-, sodium salt (1:1) are: (1)ACD/LogP: -0.04; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 7; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 84.01 Å2; (7)Flash Point: 264.2 °C; (8)Enthalpy of Vaporization: 78.46 kJ/mol; (9)Boiling Point: 513.2 °C at 760 mmHg; (10)Vapour Pressure: 1.2E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].O=S(=O)(Nc1ncnc(OC)c1)c2ccc(N)cc2
(2)Std. InChI: InChI=1S/C11H12N4O3S.Na/c1-18-11-6-10(13-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9;/h2-7H,12H2,1H3,(H,13,14,15);/q;+1
(3)Std. InChIKey: QHALTWCNEVUKBB-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| chicken | LD50 | intravenous | 1380mg/kg (1380mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: FOOD INTAKE (ANIMAL) LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA | Oyo Yakuri. Pharmacometrics. Vol. 9, Pg. 133, 1975. |
| chicken | LD50 | oral | 7250mg/kg (7250mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: FOOD INTAKE (ANIMAL) LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA | Oyo Yakuri. Pharmacometrics. Vol. 9, Pg. 133, 1975. |
| dog | LD50 | intravenous | 792mg/kg (792mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD GASTROINTESTINAL: NAUSEA OR VOMITING LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA | Oyo Yakuri. Pharmacometrics. Vol. 9, Pg. 133, 1975. |
| mouse | LD50 | intraperitoneal | 1070mg/kg (1070mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 58, Pg. 59, 1962. |
| mouse | LD50 | intravenous | 1010mg/kg (1010mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 58, Pg. 59, 1962. |
| mouse | LD50 | oral | 3240mg/kg (3240mg/kg) | Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 58, Pg. 59, 1962. | |
| mouse | LD50 | subcutaneous | 1gm/kg (1000mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 58, Pg. 59, 1962. |
| rabbit | LD50 | intravenous | 1530mg/kg (1530mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Oyo Yakuri. Pharmacometrics. Vol. 9, Pg. 133, 1975. |
| rat | LD50 | intravenous | 1710mg/kg (1710mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: IRRITABILITY LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA | Oyo Yakuri. Pharmacometrics. Vol. 9, Pg. 133, 1975. |
| rat | LD50 | oral | 5620mg/kg (5620mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: IRRITABILITY LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA | Oyo Yakuri. Pharmacometrics. Vol. 9, Pg. 133, 1975. |
| rat | LD50 | subcutaneous | 1730mg/kg (1730mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: IRRITABILITY LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA | Oyo Yakuri. Pharmacometrics. Vol. 9, Pg. 133, 1975. |