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| CAS No.: | 1037-50-9 |
|---|---|
| Name: | Sulfadimethoxine sodium salt |
| Molecular Structure: | |
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| Formula: | C12H13N4NaO4S |
| Molecular Weight: | 332.31 |
| Synonyms: | Benzenesulfonamide,4-amino-N-(2,6-dimethoxy-4-pyrimidinyl)-, monosodium salt (9CI);Sodium,[N1-(2,6-dimethoxy-4-pyrimidinyl)sulfanilamido]- (7CI);Sulfanilamide,N1-(2,6-dimethoxy-4-pyrimidinyl)-, monosodium salt (8CI);Sodiumsulfadimethoxine;Sulfadimethoxine sodium salt; |
| EINECS: | 213-859-3 |
| Density: | 1.441 g/cm3 |
| Melting Point: | 268 °C |
| Boiling Point: | 548.5oC at 760mmHg |
| Flash Point: | 285.5oC |
| Appearance: | White or straw yellow powder |
| Hazard Symbols: |
 Xn
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| Risk Codes: | 20/21/22-36/37/38-43 |
| Safety: | 22-26-36 |
| PSA: | 116.02000 |
| LogP: | 2.39760 |
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Specification
The Benzenesulfonamide,4-amino-N-(2,6-dimethoxy-4-pyrimidinyl)-, sodium salt (1:1) with CAS registry number of 1037-50-9 is also known as Sulfadimethoxine sodium salt. The IUPAC name is Sodium (4-aminophenyl)sulfonyl-(2,6-dimethoxypyrimidin-4-yl)azanide. It belongs to product categories of APIs; Antibiotics for Research and Experimental Use; Biochemistry; Sulfonamides (Antibiotics for Research and Experimental Use). Its EINECS registry number is 213-859-3. In addition, the formula is C12H13N4NaO4S and the molecular weight is 332.31. This chemical is a white or straw yellow powder that should be stored at the temperature of 2-8 °C away from oxidants. Besides, it may cause damage to health and it is used as sulfonamide.
Physical properties about Benzenesulfonamide,4-amino-N-(2,6-dimethoxy-4-pyrimidinyl)-, sodium salt (1:1) are: (1)ACD/LogP: 1.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.46; (4)ACD/LogD (pH 7.4): 0.87; (5)ACD/BCF (pH 5.5): 7.55; (6)ACD/BCF (pH 7.4): 1.91; (7)ACD/KOC (pH 5.5): 146.08; (8)ACD/KOC (pH 7.4): 36.93; (9)#H bond acceptors: 8; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Flash Point: 285.5 °C; (13)Enthalpy of Vaporization: 82.81 kJ/mol; (14)Boiling Point: 548.5 °C at 760 mmHg; (15)Vapour Pressure: 4.41E-12 mmHg at 25 °C.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. What's more, it is harmful by inhalation, in contact with skin and if swallowed. This chemical also may cause sensitisation by skin contact. During using it, wear suitable protective clothing. Do not breathe dust. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: COC1=NC(=NC(=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)N)OC.[Na+]
2. InChI: InChI=1S/C12H13N4O4S.Na/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,
18)9-5-3-8(13)4-6-9;/h3-7H,13H2,1-2H3;/q-1;+1
3. InChIKey: DQDZQHMCPDUUPC-UHFFFAOYSA-N