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Basic information

  • Name:
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 3,3-dimethyl-6-[[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino]-7-oxo-,sodium salt, hydrate (1:1:1), (2S,5R,6R)-

  • Superlist Name:
  • Oxacillin sodium monohydrate
  • CAS No.:
  • 7240-38-2

  • Formula:
  • C19H19 N3 O5 S . H2 O . Na
  • Synonyms:
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 3,3-dimethyl-6-(5-methyl-3-phenyl-4-isoxazolecarboxamido)-7-oxo-,monosodium salt, monohydrate (8CI);4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-[[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino]-7-oxo-,monosodium salt, monohydrate, [2S-(2a,5a,6b)]- (9CI); Oxacillin sodiumhydrate; Sodium oxacillin monohydrate; Stapenor sodium
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Chemistry

Molecular Structure of Oxacillin sodium (CAS NO.7240-38-2):

IUPAC Name: sodium (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 
Empirical Formula: C19H20N3NaO6S
Molecular Weight: 441.4334
H bond acceptors: 8
H bond donors: 2
Freely Rotating Bonds: 4
Polar Surface Area: 129.25 Å2
Flash Point: 369.2 °C
Enthalpy of Vaporization: 105.76 kJ/mol
Boiling Point: 686.8 °C at 760 mmHg
Vapour Pressure: 8.32E-20 mmHg at 25°C
Storage temp: Refrigerator
Merck: 6904
Melting point:: 188°C
Categories: Antibiotics for Research and Experimental Use; beta-Lactams (Antibiotics for Research and Experimental Use); Biochemistry; Stains and Dyes; Stains&Dyes, A to;beta-Lactam StructureEPA; 1694 Pharmaceuticals&Personal Care Products; Alphabetic; Antibiotics; BactericidalAntibiotics; Chemical Structure; NeatsAnalytical Standards; O; Principle; Peptide Synthesis/Antibiotics
InChI
InChI=1/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
Smiles
N12[C@@H]([C@@H](NC(c3c(c4ccccc4)noc3C)=O)C2=O)SC([C@@H]1C(=O)[O-])(C)C.[Na+]

Safety Profile

Hazard Codes HarmfulXn,IrritantXi
Risk Statements 36/37/38-42/43
R36/37/38:Irritating to eyes, respiratory system and skin. 
R42/43:May cause sensitization by inhalation and skin contact.
Safety Statements 22-26-36/37 
S22:Do not breathe dust. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37:Wear suitable protective clothing and gloves.

Specification

  Oxacillin sodium , with CAS number of 7240-38-2, can be called Monosodium (2S,5R,6R)-3,3-dimethyl-6-(5-methyl-3-phenyl-4-isoxazolecarboxamido)-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate monohydrate ; 4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-[[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino]-7-oxo-, sodium salt, (2S,5R,6R)-, hydrate (1:1:1) ; sodium 2,2-dimethyl-6beta-(5-methyl-3-phenyl-1,2-oxazole-4-carboxamido)penam-3alpha-carboxylate--water (1/1) .

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