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Sulfamethazine sodium salt
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  • Name Sulfamethazine sodium salt
  • EINECS217-840-0
  • CAS No. 1981-58-4
  • Density1.392 g/cm3
  • PSA97.56000
  • LogP2.99720
  • SolubilityN/A
  • Melting Point176oC
  • FormulaC12H14N4NaO2S
  • Boiling Point526.2 °C at 760 mmHg
  • Molecular Weight302.332
  • Flash Point272.1 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety36
  • Risk Codes22
  • Molecular Structure
    Molecular Structure of 1981-58-4 (Sulfamethazine sodium salt)
  • Hazard SymbolsHarmfulXn
  • SynonymsHarmfulXn

Sulfamethazine sodium salt Synthetic route

366-18-7

[2,2]bipyridinyl

copper(ll) sulfate pentahydrate

1981-58-4

4-amino-N-(4,6-dimethyl-2-pyrimidinyl)benzenesulfonamide sodium salt

[Cu(sulfamethazine)2(2,2'-bipyridine)].0.66H2O

Conditions
ConditionsYield
Stage #1: [2,2]bipyridinyl; copper(ll) sulfate pentahydrate In water Heating;
Stage #2: 4-amino-N-(4,6-dimethyl-2-pyrimidinyl)benzenesulfonamide sodium salt In water for 4h; Reflux;		89%
298-96-4

triphenyltetrazolium chloride

1981-58-4

4-amino-N-(4,6-dimethyl-2-pyrimidinyl)benzenesulfonamide sodium salt

C19H15N4(1+)*C12H13N4O2S(1-)

Conditions
ConditionsYield
In methanol; water at 20℃; for 2h;86%
148-24-3

8-quinolinol

copper(ll) sulfate pentahydrate

1981-58-4

4-amino-N-(4,6-dimethyl-2-pyrimidinyl)benzenesulfonamide sodium salt

[Cu(sulfamethazine)(8-hydroxyquinoline)(OH2)]*H2O

Conditions
ConditionsYield
Stage #1: 8-quinolinol; copper(ll) sulfate pentahydrate In water Heating;
Stage #2: 4-amino-N-(4,6-dimethyl-2-pyrimidinyl)benzenesulfonamide sodium salt In water for 4h; Reflux;		81%
7732-18-5

water

543-90-8

cadmium(II) acetate

1981-58-4

4-amino-N-(4,6-dimethyl-2-pyrimidinyl)benzenesulfonamide sodium salt

[Cd(sulfadimidinato)2(H2O)]*2H2O

Conditions
ConditionsYield
In water Cd(II) acetate in distd. water added dropwise with stirring; stirred (18 h, room temp.); filtered off; air dried; crystd. (NH4OH-H2O, 3:9); elem. anal.;80%

cobalt(II) perchlorate hexahydrate

1812-30-2

bromazepam

1981-58-4

4-amino-N-(4,6-dimethyl-2-pyrimidinyl)benzenesulfonamide sodium salt

[Co(SMZ)2(bromazepam)]*5H2O

Conditions
ConditionsYield
Stage #1: cobalt(II) perchlorate hexahydrate; bromazepam In water for 2h; Reflux;
Stage #2: 4-amino-N-(4,6-dimethyl-2-pyrimidinyl)benzenesulfonamide sodium salt In water for 4h; Reflux;		74.9%

copper(ll) sulfate pentahydrate

1981-58-4

4-amino-N-(4,6-dimethyl-2-pyrimidinyl)benzenesulfonamide sodium salt

[Cu(sulfamethazine)2(OH2)]*1.5H2O

Conditions
ConditionsYield
In water for 2h; Reflux;73%

ammonium hydroxide

557-34-6

zinc diacetate

1981-58-4

4-amino-N-(4,6-dimethyl-2-pyrimidinyl)benzenesulfonamide sodium salt

Zn(sulfadimidinato)2*1.75(NH3)*0.25(H2O)

Conditions
ConditionsYield
In water Zn(II) acetate in distd. water added dropwise with stirring; stirred (18 h, room temp.); filtered off; air dried; crystd. (NH4OH-H2O, 1:9); elem. anal.;71%

nickel(II) perchlorate hexahydrate

1812-30-2

bromazepam

1981-58-4

4-amino-N-(4,6-dimethyl-2-pyrimidinyl)benzenesulfonamide sodium salt

[Ni(SMZ)2(bromazepam)]*4H2O

Conditions
ConditionsYield
Stage #1: nickel(II) perchlorate hexahydrate; bromazepam In water for 2h; Reflux;
Stage #2: 4-amino-N-(4,6-dimethyl-2-pyrimidinyl)benzenesulfonamide sodium salt In water for 4h; Reflux;		67.8%
76513-69-4

(2-trimethylethylsilylethoxy)methyl chloride

1981-58-4

4-amino-N-(4,6-dimethyl-2-pyrimidinyl)benzenesulfonamide sodium salt

4-amino-N-(4,6-dimethylpyrimidin-2-yl)-N-{[2-(trimethylsilyl)ethoxy]methyl}benzene-1-sulfonamide

Conditions
ConditionsYield
In acetonitrile at 20℃; for 20h;65%

copper(II) choride dihydrate

119-91-5

2,2'-biquinoline

1981-58-4

4-amino-N-(4,6-dimethyl-2-pyrimidinyl)benzenesulfonamide sodium salt

C30H25ClCuN6O2S

Conditions
ConditionsYield
In methanol for 2h; Reflux;64.3%

Sulfamethazine sodium salt Consensus Reports

Reported in EPA TSCA Inventory.

Sulfamethazine sodium salt Specification

The Sulfamethazine sodium salt, with the CAS registry number 1981-58-4, is also known as . It belongs to the product categories of Antibiotics for Research and Experimental Use; Biochemistry; Sulfonamides (Antibiotics for Research and Experimental Use). Its EINECS registry number is 217-840-0. This chemical's molecular formula is C12H14N4NaO2S and molecular weight is 301.3199. Its IUPAC name is called sodium (4-aminophenyl)sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide. This chemical's classification code is Drug / Therapeutic Agent. Meanwhile, this product should be stored at 2-8 °C.

Physical properties of Sulfamethazine sodium salt: (1)H-Bond Donor: 1; (2)H-Bond Acceptor: 4; (3)Rotatable Bond Count: 3; (4)Exact Mass: 300.065691; (5)MonoIsotopic Mass: 300.065691; (6)Topological Polar Surface Area: 95.3; (7)Heavy Atom Count: 20; (8)Formal Charge: 0; (9)Complexity: 383; (10)Isotope Atom Count: 0; (11)Defined Atom StereoCenter Count: 0; (12)Undefined Atom StereoCenter Count: 0; (13)Defined Bond StereoCenter Count: 0; (14)Undefined Bond StereoCenter Count: 0; (15)Covalently-Bonded Unit Count: 2.

When you are using this chemical, please be cautious about it. This chemical may cause damage to health. It is harmful if swallowed. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=NC(=N1)[N-]S(=O)(=O)C2=CC=C(C=C2)N)C.[Na+]
(2)InChI: InChI=1S/C12H13N4O2S.Na/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11;/h3-7H,13H2,1-2H3;/q-1;+1
(3)InChIKey: NGIVTUVVBWOTNT-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 974mg/kg (974mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 81, Pg. 17, 1944.
mouse LD50 intravenous 605mg/kg (605mg/kg)   Minerva Medica. Vol. 52, Pg. 1789, 1961.
mouse LD50 oral 1165mg/kg (1165mg/kg)   Minerva Medica. Vol. 52, Pg. 1789, 1961.
mouse LD50 subcutaneous 699mg/kg (699mg/kg)   Minerva Medica. Vol. 52, Pg. 1789, 1961.

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