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Oxacillin sodium monohydrate

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Name

Oxacillin sodium monohydrate

EINECS 214-636-3
CAS No. 7240-38-2 Density N/A
PSA 136.54000 LogP 0.99210
Solubility Soluble in water, methanol, dimethyl sulfoxide, slightly soluble in ethanol, chloroform, and very slightly soluble in acetone, butanol, insoluble in ethyl ether, benzene Melting Point 188 °C
Formula C19H18N3O5SNa.H2O Boiling Point 686.8 °C at 760 mmHg
Molecular Weight 441.43 Flash Point 369.2 °C
Transport Information N/A Appearance white crystalline powder
Safety 22-26-36/37 Risk Codes 36/37/38-42/43
Molecular Structure Molecular Structure of 7240-38-2 (Oxacillin sodium monohydrate) Hazard Symbols IrritantXi,HarmfulXn
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;7-[[3-(2-Chlorophenyl)-5-methyl-oxazol-4-yl]carbonylamino]-3,3-dimethyl-6-oxo-2-thia-5-azabicyclo[3.2.0]heptane-4-carboxylic acid sodium salt monohydrate;

 

Oxacillin sodium monohydrate Specification

The Oxacillin sodium monohydrate, with the CAS registry number 7240-38-2 , is also known as 7-[[3-(2-Chlorophenyl)-5-methyl-oxazol-4-yl]carbonylamino]-3,3-dimethyl-6-oxo-2-thia-5-azabicyclo[3.2.0]heptane-4-carboxylic acid sodium salt monohydrate. It belongs to the product categories of 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; Bactericidal Antibiotics; Chemical Structure; Neats Analytical Standards; O; Principle; Peptide Synthesis/Antibiotics. This chemical's molecular formula is C19H18N3O5SNa.H2O and molecular weight is 441.43. What's more, its systematic name is Sodium (2S,5R,6R)-3,3-dimethyl-6-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrate (1:1:1). Its classification code is Antibacterial. This chemical should be sealed and stored in a cool and dry place. It will decompose at the temperature of 188 °C. It can be prepared by condensation and salifying between 6-Aminopenicillanic acid and 5-Methyl-3-phenylisoxazole-4-carbonylchloride.

Physical properties of Oxacillin sodium monohydrate are: (1)ACD/LogP: 2.054; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 8; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 129.25 Å2; (7)Flash Point: 369.2 °C; (8)Enthalpy of Vaporization: 105.76 kJ/mol; (9)Boiling Point: 686.8 °C at 760 mmHg; (10)Vapour Pressure: 8.32E-20 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. It may cause sensitisation by inhalation and skin contact. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You should not breathe dust. When using it, you need wear suitable protective gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].O=C([O-])[C@@H]3N4C(=O)[C@@H](NC(=O)c2c(onc2c1ccccc1)C)[C@H]4SC3(C)C.O
(2)Std. 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
(3)Std. InChIKey: ZVIYWUUZWWBNMB-VICXVTCVSA-M 

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