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Cephalothin sodium salt

CAT: 0063-12441465-1gSize: 1 gDry Ice: NoHazardous: No
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CAS Number
58-71-9
Molecular Formula
C16H15N2NaO6S2
Molecular Weight
418.42
Formulation
C16H15N2NaO6S2

Chemical Information

Cephalothin Sodium

Cephalothin sodium is an organic sodium salt. It contains a cefalotin.

CAS Number58-71-9
PubChem CID23675321
IUPAC Namesodium (6R,7R)-3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Molecular FormulaC16H15N2NaO6S2
Molecular Weight418.4
Topological Polar Surface Area169
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity686
SMILES
CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)[O-].[Na+]
InChI
InChI=1S/C16H16N2O6S2.Na/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10;/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23);/q;+1/p-1/t12-,15-;/m1./s1
InChIKey
VUFGUVLLDPOSBC-XRZFDKQNSA-M
Chemical Structure
2D Structure
2D structure of Cephalothin Sodium
CAS: 58-71-9
CID: 23675321
Formula: C16H15N2NaO6S2
MW: 418.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass418.02692283
Monoisotopic Mass418.02692283
Topological Polar Surface Area169 Ų
Heavy Atom Count27
Formal Charge0
Complexity686
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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