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Sulfamethazine sodium

CAT: 0127-BUP19012Size: 1 mLDry Ice: NoHazardous: No
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CAT#:0127-BUP19012Size:1 mL
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CAS Number
1981-58-4
Synonyms
Sulfadimethyldiazine Sodium Salt, Sulfamethazine sodium salt
Purity
=98%
Smiles
S(=O)(=O)([N-]c1nc(cc(n1)C)C)c1ccc(N)cc1.[Na+]

Chemical Information

Sulfamethazine Sodium

Sulfamethazine Sodium is a sodium salt form of sulfamethazine, a sulfonamide antibiotic used in the lifestock industry.

CAS Number1981-58-4
PubChem CID13456556
IUPAC Namesodium (4-aminophenyl)sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide
Molecular FormulaC12H13N4NaO2S
Molecular Weight300.31
Topological Polar Surface Area95.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity383
SMILES
CC1=CC(=NC(=N1)[N-]S(=O)(=O)C2=CC=C(C=C2)N)C.[Na+]
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
InChIKey
NGIVTUVVBWOTNT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sulfamethazine Sodium
CAS: 1981-58-4
CID: 13456556
Formula: C12H13N4NaO2S
MW: 300.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass300.06569113
Monoisotopic Mass300.06569113
Topological Polar Surface Area95.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity383
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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