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Oxacillin sodium salt

CAT: 0063-89967565-1gSize: 1 gDry Ice: NoHazardous: No
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CAT#:0063-89967565-1gSize:1 g
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CAS Number
1173-88-2
Molecular Formula
C19H18N3NaO5S
Molecular Weight
423.42
Formulation
C19H18N3NaO5S

Chemical Information

Oxacillin sodium salt

Oxacillin sodium is an organic sodium salt. It contains an oxacillin(1-).

CAS Number1173-88-2
PubChem CID23667631
IUPAC Namesodium (2S,5R,6R)-3,3-dimethyl-6-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Molecular FormulaC19H18N3NaO5S
Molecular Weight423.4
Topological Polar Surface Area141
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity687
SMILES
CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)[O-].[Na+]
InChI
InChI=1S/C19H19N3O5S.Na/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22;/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26);/q;+1/p-1/t13-,14+,17-;/m1./s1
InChIKey
VDUVBBMAXXHEQP-SLINCCQESA-M
Chemical Structure
2D Structure
2D structure of Oxacillin sodium salt
CAS: 1173-88-2
CID: 23667631
Formula: C19H18N3NaO5S
MW: 423.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight423.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass423.08648614
Monoisotopic Mass423.08648614
Topological Polar Surface Area141 Ų
Heavy Atom Count29
Formal Charge0
Complexity687
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
O8098-21-01Oxacillin Sodium Salt
HY-B0925-01Oxacillin (sodium salt)
HY-B0925R-01Oxacillin (sodium salt) (Standard)
461681-01Oxacillin Sodium-d5 Salt
GA9839-1gOxacillin sodium salt monohydrate
CS-W-00543Oxacillin-13C6 sodium salt
BIM0106-01Oxacillin sodium salt hydrate
HY-W745714Oxacillin-d5 (sodium salt)
TRC-C128420-250MG3-Chloro-oxacillin Sodium Salt
286268Oxacillin sodium salt discontinued. See O8098-21

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