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Cephalexin

CAT: 1489-C7320-03Size: 100 gDry Ice: NoHazardous: No
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CAT#:1489-C7320-03Size:100 g
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CAS Number
23325-78-2
Purity
> 98%

Chemical Information

Cephalexin Monohydrate

Cephalexin monohydrate is a hydrate of cephalexin consisting of equimolar amounts of hydrate and cephalexin. It has a role as an antibacterial drug. It contains a cephalexin.

CAS Number23325-78-2
PubChem CID62921
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;hydrate
Molecular FormulaC16H19N3O5S
Molecular Weight365.4
Topological Polar Surface Area139
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count25
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.O
InChI
InChI=1S/C16H17N3O4S.H2O/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);1H2/t10-,11-,15-;/m1./s1
InChIKey
AVGYWQBCYZHHPN-CYJZLJNKSA-N
Chemical Structure
2D Structure
2D structure of Cephalexin Monohydrate
CAS: 23325-78-2
CID: 62921
Formula: C16H19N3O5S
MW: 365.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight365.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass365.10454189
Monoisotopic Mass365.10454189
Topological Polar Surface Area139 Ų
Heavy Atom Count25
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 Count2
Compound Is CanonicalizedYes

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CatalogName
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Alternative Products

CatalogName
B1692-5000Cephalexin

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