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Cefoxitin Sodium Salt

CAT: 0572-TRC-C243200-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C243200-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
33564-30-6
Synonyms
Cefoxitin Sodium; Sodium (6R,7S)-3-[(carbamoyloxy)methyl]-7-methoxy-8-oxo-7-[[(thiophen-2-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(aminocarbonyl)oxy]methyl]-7-methoxy-8-oxo-7-[(2-thienylacetyl)amino]-, monosodium salt, (6R,7S)- (9CI); 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(aminocarbonyl)oxy]methyl]-7-methoxy-8-oxo-7-[(2-thienylacetyl)amino]-, monosodium salt, (6R-cis)-; Betacef; Cefaxilin sodium; Cefoxitin sodium; Cefoxitin sodium salt; Cenomycin; Farmoxin; MK 306; Mefoxin; Mefoxithin; Mefoxitin; Merxin; Monosodium cefoxitin; Sodium cefoxitin
Hazard Statement
May cause allergy or asthma symptoms or breathing difficulties if inhaled
Purity
>95% (HPLC)
Smiles
[Na+].CO[C@]1(NC(=O)Cc2cccs2)[C@H]3SCC(=C(N3C1=O)C(=O)[O-])COC(=O)N
Molecular Formula
C16 H16 N3 O7 S2 . Na
Molecular Weight
449.43
InChI
InChI=1S/C16H17N3O7S2.Na/c1-25-16(18-10(20)5-9-3-2-4-27-9)13(23)19-11(12(21)22)8(6-26-15(17)24)7-28-14(16)19;/h2-4,14H,5-7H2,1H3,(H2,17,24)(H,18,20)(H,21,22);/q;+1/p-1/t14-,16+;/m1./s1
Additionnal Information
IUPAC name: sodium;(6R,7S)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Cefoxitin Sodium

Cefoxitin sodium is an organic molecular entity.

CAS Number33564-30-6
PubChem CID23667300
IUPAC Namesodium (6R,7S)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Molecular FormulaC16H16N3NaO7S2
Molecular Weight449.4
Topological Polar Surface Area205
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity750
SMILES
CO[C@@]1([C@@H]2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)[O-])NC(=O)CC3=CC=CS3.[Na+]
InChI
InChI=1S/C16H17N3O7S2.Na/c1-25-16(18-10(20)5-9-3-2-4-27-9)13(23)19-11(12(21)22)8(6-26-15(17)24)7-28-14(16)19;/h2-4,14H,5-7H2,1H3,(H2,17,24)(H,18,20)(H,21,22);/q;+1/p-1/t14-,16+;/m1./s1
InChIKey
GNWUOVJNSFPWDD-XMZRARIVSA-M
Chemical Structure
2D Structure
2D structure of Cefoxitin Sodium
CAS: 33564-30-6
CID: 23667300
Formula: C16H16N3NaO7S2
MW: 449.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight449.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass449.03273649
Monoisotopic Mass449.03273649
Topological Polar Surface Area205 Ų
Heavy Atom Count29
Formal Charge0
Complexity750
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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C4849-1000Cefoxitin (sodium salt)
257234-01Cefoxitin sodium salt
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