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Sulfamonomethoxine-d4

CAT: 0804-HY-B0946SSize: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0946SSize:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Sulfamonomethoxine-d4 is a deuterium labeled Sulfamonomethoxine. Sulfamonomethoxine is an orally active sulfonamide antibiotic for veterinary use. Sulfamonomethoxine is also an inhibitor of dihydropteroate synthetase, which can block the synthesis of folic acid. Sulfamonomethoxine has antibacterial activity[1].
CAS Number
1286538-12-2
UNSPSC
12352005
Hazard Statement
H315, H317, H319, H335
Target
Antibiotic; Bacterial; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Anti-infection; Others
Applications
COVID-19-immunoregulation
Field of Research
Infection
Purity
99.90
Solubility
10 mM in DMSO
Smiles
COC1=NC=NC(NS(C2=C([2H])C([2H])=C(N)C([2H])=C2[2H])(=O)=O)=C1
Molecular Formula
C11H8D4N4O3S
Molecular Weight
284.33
Precautions
H315, H317, H319, H335
References & Citations
[1]Ryuji Ueno. Pharmacokinetics and Bioavailability of Sulfamonomethoxine in Cultured Eel. Fish Pathology,33 (4),297-301,1998.10.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Sulfamonomethoxine-d4
CAS Number1286538-12-2
PubChem CID57369413
IUPAC Name4-amino-2,3,5,6-tetradeuterio-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide
Molecular FormulaC11H12N4O3S
Molecular Weight284.33
XLogP0.8
Topological Polar Surface Area116
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity376
SMILES
[2H]C1=C(C(=C(C(=C1N)[2H])[2H])S(=O)(=O)NC2=CC(=NC=N2)OC)[2H]
InChI
InChI=1S/C11H12N4O3S/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)/i2D,3D,4D,5D
InChIKey
WMPXPUYPYQKQCX-QFFDRWTDSA-N
Chemical Structure
2D Structure
2D structure of Sulfamonomethoxine-d4
CAS: 1286538-12-2
CID: 57369413
Formula: C11H12N4O3S
MW: 284.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight284.33
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass284.08811841
Monoisotopic Mass284.08811841
Topological Polar Surface Area116 Ų
Heavy Atom Count19
Formal Charge0
Complexity376
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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