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Flucloxacillin Sodium

CAT: 0572-TRC-F419200-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F419200-100MGSize:100 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
Synonyms
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7-oxo-, monosodium salt, (2S,5R,6R)- (9CI); 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarboxamido]-3,3-dimethyl-7-oxo-, sodium salt (7CI); 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7-oxo-, monosodium salt, [2S-(2α,5α,6β)]-; Floxacillin sodium; Floxapen; Floxapen sodium; Flucloxacillin sodium; Flucloxacillin sodium salt; Monosodium flucloxacillin; NSC 277175; Sodium [3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]penicillin; Sodium flucloxacillin; Staphylex; BRL-2039
Hazard Statement
May cause allergy or asthma symptoms or breathing difficulties if inhaled
Purity
>95% (HPLC)
Smiles
[Na+].Cc1onc(c1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)[O-])c4c(F)cccc4Cl
Molecular Formula
C19 H16 Cl F N3 O5 S . Na
Molecular Weight
475.85
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
Additionnal Information
IUPAC name: sodium;(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
Shipping Conditions
Room Temperature
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
Loading 3D structure...
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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