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Cephalexin Sodium Salt

CAT: 0572-TRC-C256815-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C256815-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
38932-40-0
Synonyms
Cephalexin Sodium; Sodium Cephalexin; Sodium (6R,7R)-7-((R)-2-Amino-2-phenylacetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; (6R,7R)-7-[[(2R)-Aminophenylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid Monosodium Salt;
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
CC1=C(C(O[Na])=O)N2C([C@@H](NC([C@H](N)C3=CC=CC=C3)=O)[C@@]2([H])SC1)=O
Molecular Formula
C16H16N3NaO4S
Molecular Weight
369.37
InChI
InChI=1S/C16H17N3O4S.Na/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9;/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23);/q;+1/p-1/t10-,11-,15-;/m1./s1
Additionnal Information
IUPAC name: sodium (6R,7R)-7-((R)-2-amino-2-phenylacetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Shipping Conditions
Ice Packs
Storage Conditions
-20°C

Chemical Information

Cephalexin sodium

Cephalexin sodium is the sodium salt of cephalexin. It contains a cephalexin(1-).

CAS Number38932-40-0
PubChem CID23667618
IUPAC Namesodium (6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Molecular FormulaC16H16N3NaO4S
Molecular Weight369.4
Topological Polar Surface Area141
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity606
SMILES
CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)SC1)C(=O)[O-].[Na+]
InChI
InChI=1S/C16H17N3O4S.Na/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9;/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23);/q;+1/p-1/t10-,11-,15-;/m1./s1
InChIKey
NZDYPHVJLWMLJI-CYJZLJNKSA-M
Chemical Structure
2D Structure
2D structure of Cephalexin sodium
CAS: 38932-40-0
CID: 23667618
Formula: C16H16N3NaO4S
MW: 369.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight369.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass369.07592146
Monoisotopic Mass369.07592146
Topological Polar Surface Area141 Ų
Heavy Atom Count25
Formal Charge0
Complexity606
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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