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Name	Sodium dicloxacillin	EINECS	206-444-3
CAS No.	343-55-5	Density	N/A
PSA	138.04000	LogP	3.64340
Solubility	N/A	Melting Point	N/A
Formula	C₁₉H₁₆Cl₂N₃O₅S·Na	Boiling Point	692.4 °C at 760 mmHg
Molecular Weight	492.315	Flash Point	372.5 °C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Dicloxacillin sodium anhydrous;3-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolylpenicillin;Sodium (3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl)penicillin;Sodium (2S-(2alpha,5alpha,6beta))-6-(((3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl)carbonyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate;(2S,5R,6R)-6-[[3-(2,6-dichlorophenyl)-5-methyl-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;Dichlor-Stapenor;4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl)carbonyl)amino)-3,3-dimethyl-7-oxo-, monosodium salt, (2S-(2alpha,6beta))-;Dicloxacillin [USAN:BAN:INN];Veracillin;Dicloxacilina [INN-Spanish];4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxamido)-3,3-dimethyl-7-oxo-, monosodium salt;Dicloxacilin;Dynapen;Dicloxacilline [INN-French];4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl)carbonyl)amino)-3,3-dimethyl-7-oxo-, monosodium salt, (2S,5R,6R)-;R-13423;Methyldichlorophenylisoxazolylpenicillin;6-(3-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolecarboxamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid;Dicloxacillinum [INN-Latin];Sodium (2S,5R,6R)-6-[[3-(2,6-dichlorophenyl)-5-methyl-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;Diclossacillina [DCIT];Dicloxacillin sodium;Maclicine;4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,6-[[[3-(2,6-dichlorophenyl)-5-methyl- 4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7- oxo-,monosodium salt,(2S,5R,6R)-;4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl)carbonyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2alpha,5alpha,6beta))-;6-(3-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolecarboxamido)penicillanic acid;	Article Data	2

Sodium dicloxacillin Specification

The Sodium dicloxacillin, with the CAS registry number 343-55-5, is also known as 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl)carbonyl)amino)-3,3-dimethyl-7-oxo-, monosodium salt, (2S,5R,6R)-. Its EINECS number is 206-444-3. This chemical's molecular formula is C₁₉H₁₆Cl₂N₃O₅S·Na and molecular weight is 510.32. What's more, its systematic name is Sodium (2S,5R,6R)-6-({[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate. This chemical is one of the penicillins which is resistant to penicillinase.

Physical properties of Sodium dicloxacillin are: (1)ACD/LogP: 3.023; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.03; (4)ACD/LogD (pH 7.4): -0.71; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 129.25 Å²; (13)Flash Point: 372.5 °C; (14)Enthalpy of Vaporization: 106.54 kJ/mol; (15)Boiling Point: 692.4 °C at 760 mmHg; (16)Vapour Pressure: 3.98E-20 mmHg at 25°C.

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(onc2c1c(Cl)cccc1Cl)C)[C@H]4SC3(C)C
(2)Std. InChI: InChI=1S/C19H17Cl2N3O5S.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
(3)Std. InChIKey: GXOMMGAFBINOJY-SLINCCQESA-M

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