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Flucloxacillin sodium salt

CAT: 0862-GA1968-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0862-GA1968-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1847-24-1
EC Number
217-428-0
HS Code
29411000
Purity
95.00%
Molecular Formula
C19H16ClFN3O5S · Na
Molecular Weight
475.85
Storage Conditions
-20°C

Chemical Information

Floxacillin sodium

Flucloxacillin sodium is an organic sodium salt. It contains a flucloxacillin(1-).

CAS Number1847-24-1
PubChem CID23667629
IUPAC Namesodium (2S,5R,6R)-6-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Molecular FormulaC19H16ClFN3NaO5S
Molecular Weight475.9
Topological Polar Surface Area141
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity764
SMILES
CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)[O-].[Na+]
InChI
InChI=1S/C19H17ClFN3O5S.Na/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24;/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28);/q;+1/p-1/t13-,14+,17-;/m1./s1
InChIKey
OTEANHMVDHZOPB-SLINCCQESA-M
Chemical Structure
2D Structure
2D structure of Floxacillin sodium
CAS: 1847-24-1
CID: 23667629
Formula: C19H16ClFN3NaO5S
MW: 475.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight475.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass475.0380919
Monoisotopic Mass475.0380919
Topological Polar Surface Area141 Ų
Heavy Atom Count31
Formal Charge0
Complexity764
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
sc-4817315-Acetyloxymethyl Flucloxacillin Sodium Salt
HY-A0246A-01Flucloxacillin sodium

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