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Sulfabromomethazine

CAT: 0572-TRC-S808510-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-S808510-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
116-45-0
Synonyms
Sulfanilamide, N1-(5-bromo-4,6-dimethyl-2-pyrimidinyl)- (6CI,7CI,8CI); 4-Amino-N-(5-bromo-4,6-dimethyl-2-pyrimidinyl)benzenesulfonamide; 2-Sulfanilamido-5-bromo-4,6-dimethylpyrimidine; 5-Bromo-4,6-dimethyl-2-sulfanilamidopyrimidine; 5-Bromosulfamethazine; Bromosulfamethazine; N1-(5-Bromo-4,6-dimethyl-2-pyrimidinyl)sulfanilamide; NSC 5874; SN 3517; Sulfabrom; Sulfabromomethazine
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
Cc1nc(NS(=O)(=O)c2ccc(N)cc2)nc(C)c1Br
Molecular Formula
C12 H13 Br N4 O2 S
Molecular Weight
357.23
InChI
InChI=1S/C12H13BrN4O2S/c1-7-11(13)8(2)16-12(15-7)17-20(18,19)10-5-3-9(14)4-6-10/h3-6H,14H2,1-2H3,(H,15,16,17)
Additionnal Information
IUPAC name: 4-amino-N-(5-bromo-4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Sulfabromomethazine

Sulfabromomethazine is a sulfonamide consisting of 5-bromo-4,6-dimethylpyrimidine with a 4-aminobenzenesulfonamido group at the 2-position. A long-acting derivative of sulfamezathine, it is used in the poultry, swine and cattle industries for the treatment of coccidiosis and various bacterial infections. It has a role as an antibacterial agent. It is functionally related to a sulfamethazine.

CAS Number116-45-0
PubChem CID8310
IUPAC Name4-amino-N-(5-bromo-4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
Molecular FormulaC12H13BrN4O2S
Molecular Weight357.23
XLogP1
Topological Polar Surface Area106
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity408
SMILES
CC1=C(C(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C)Br
InChI
InChI=1S/C12H13BrN4O2S/c1-7-11(13)8(2)16-12(15-7)17-20(18,19)10-5-3-9(14)4-6-10/h3-6H,14H2,1-2H3,(H,15,16,17)
InChIKey
KWXCNODTHBHSIQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sulfabromomethazine
CAS: 116-45-0
CID: 8310
Formula: C12H13BrN4O2S
MW: 357.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight357.23
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass355.99426
Monoisotopic Mass355.99426
Topological Polar Surface Area106 Ų
Heavy Atom Count20
Formal Charge0
Complexity408
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes