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Cephalexin

CAT: 1299-RM-C061260-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C061260-04Size:100 mg
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CAS Number
15686-71-2
Synonyms
Cefalexin; (6R,7R) -7-[[ (2R) -2-amino-2-phenylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Formula
C16H17N3O4S
Molecular Weight
347.39
Target Alternative Name
Cephalexin
Product Name Synonym
Cefalexin; (6R,7R) -7-[[ (2R) -2-amino-2-phenylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Chemical Information

Cephalexin

Cephalexin is a semisynthetic first-generation cephalosporin antibiotic having methyl and beta-(2R)-2-amino-2-phenylacetamido groups at the 3- and 7- of the cephem skeleton, respectively. It is effective against both Gram-negative and Gram-positive organisms, and is used for treatment of infections of the skin, respiratory tract and urinary tract. It has a role as an antibacterial drug. It is a cephalosporin, a semisynthetic derivative and a beta-lactam antibiotic allergen. It is a conjugate acid of a cephalexin(1-).

CAS Number15686-71-2
PubChem CID27447
IUPAC Name(6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular FormulaC16H17N3O4S
Molecular Weight347.4
XLogP0.6
Topological Polar Surface Area138
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity600
SMILES
CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)SC1)C(=O)O
InChI
InChI=1S/C16H17N3O4S/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)/t10-,11-,15-/m1/s1
InChIKey
ZAIPMKNFIOOWCQ-UEKVPHQBSA-N
Chemical Structure
2D Structure
2D structure of Cephalexin
CAS: 15686-71-2
CID: 27447
Formula: C16H17N3O4S
MW: 347.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight347.4
XLogP30.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass347.09397721
Monoisotopic Mass347.09397721
Topological Polar Surface Area138 Ų
Heavy Atom Count24
Formal Charge0
Complexity600
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
B1692-5000Cephalexin

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