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Oxacillin Sodium Monohydrate

CAT: 0024-sc-205781Size: 1 gDry Ice: NoHazardous: No
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CAS Number
7240-38-2

Chemical Information

Oxacillin Sodium

Oxacillin sodium monohydrate is a hydrate. It contains an oxacillin sodium.

CAS Number7240-38-2
PubChem CID23694213
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;hydrate
Molecular FormulaC19H20N3NaO6S
Molecular Weight441.4
Topological Polar Surface Area142
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count30
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-].O.[Na+]
InChI
InChI=1S/C19H19N3O5S.Na.H2O/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);;1H2/q;+1;/p-1/t13-,14+,17-;;/m1../s1
InChIKey
ZVIYWUUZWWBNMB-VICXVTCVSA-M
Chemical Structure
2D Structure
2D structure of Oxacillin Sodium
CAS: 7240-38-2
CID: 23694213
Formula: C19H20N3NaO6S
MW: 441.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight441.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass441.09705082
Monoisotopic Mass441.09705082
Topological Polar Surface Area142 Ų
Heavy Atom Count30
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 Count3
Compound Is CanonicalizedYes

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HY-B0465R-01Oxacillin (sodium monohydrate) (Standard)
MBS385608-01Oxacillin sodium monohydrate (Methicillin)
A10682-500Oxacillin sodium monohydrate (Methicillin) 500mg
A10682-100Oxacillin sodium monohydrate (Methicillin) 100mg

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