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Technical details about Flomoxef Sodium, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: Flomoxef sodium, 92823-03-5, Schembl65125, Dtxsid20239158
Molecular Formula
C15H18F2N6NaO7S2
Molecular Weight
519.5  g/mol
InChI Key
SYHZUFMYQQRMKT-YLCXCWDSSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 InChI
InChI=1S/C15H18F2N6O7S2.Na/c1-29-15(18-8(25)6-31-13(16)17)11(28)23-9(10(26)27)7(4-30-12(15)23)5-32-14-19-20-21-22(14)2-3-24;/h12-13,24H,2-6H2,1H3,(H,18,25)(H,26,27);/t12-,15+;/m1./s1
2.1.2 InChI Key
SYHZUFMYQQRMKT-YLCXCWDSSA-N
2.1.3 Canonical SMILES
COC1(C2N(C1=O)C(=C(CO2)CSC3=NN=NN3CCO)C(=O)O)NC(=O)CSC(F)F.[Na]
2.1.4 Isomeric SMILES
CO[C@@]1([C@@H]2N(C1=O)C(=C(CO2)CSC3=NN=NN3CCO)C(=O)O)NC(=O)CSC(F)F.[Na]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Flomoxef Sodium

2. 92823-03-5

3. Schembl65125

4. Dtxsid20239158

2.3 Create Date
2008-07-11
3 Chemical and Physical Properties
Molecular Weight 519.5 g/mol
Molecular Formula C15H18F2N6NaO7S2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count11
Exact Mass519.05441489 g/mol
Monoisotopic Mass519.05441489 g/mol
Topological Polar Surface Area220 Ų
Heavy Atom Count33
Formal Charge0
Complexity793
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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