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Sulfamethoxazole sodium

CAT: 0607-C6487-500Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0607-C6487-500Size:500 mg
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CAS Number
4563-84-2
Product Name Alternative
sodium ((4-aminophenyl)sulfonyl)(5-methylisoxazol-3-yl)amide
Purity
0.98
Solubility
insoluble in EtOH; ≥30.8 mg/mL in DMSO; ≥39.2 mg/mL in H2O
Smiles
NC1=CC=C(S(=O)(N(C2=NOC(C)=C2)[Na])=O)C=C1
Molecular Formula
C10H10N3NaO3S
Molecular Weight
275.26
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Sulfamethoxazole Sodium
CAS Number4563-84-2
PubChem CID15899900
IUPAC Namesodium (4-aminophenyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)azanide
Molecular FormulaC10H10N3NaO3S
Molecular Weight275.26
Topological Polar Surface Area95.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity352
SMILES
CC1=CC(=NO1)[N-]S(=O)(=O)C2=CC=C(C=C2)N.[Na+]
InChI
InChI=1S/C10H10N3O3S.Na/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9;/h2-6H,11H2,1H3;/q-1;+1
InChIKey
LARLNXOUTTUXPN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sulfamethoxazole Sodium
CAS: 4563-84-2
CID: 15899900
Formula: C10H10N3NaO3S
MW: 275.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight275.26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass275.03405664
Monoisotopic Mass275.03405664
Topological Polar Surface Area95.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity352
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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