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Cefadroxil Impurity 23

CAT: 1299-RM-C042423-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C042423-02Size:25 mg
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CAS Number
2243976-70-5
Synonyms
(6R,7R) -7- ((R) -2-amino-2- (4-hydroxyphenyl) acetamido) -3-ethyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Formula
C17H19N3O5S
Molecular Weight
377.41
Target Alternative Name
Cefadroxil
Product Name Synonym
(6R,7R) -7- ((R) -2-amino-2- (4-hydroxyphenyl) acetamido) -3-ethyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Chemical Information

Cefadroxil ethyl homolog
CAS Number2243976-70-5
PubChem CID153091599
IUPAC Name(6R,7R)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3-ethyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular FormulaC17H19N3O5S
Molecular Weight377.4
XLogP-1.6
Topological Polar Surface Area158
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity644
SMILES
CCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)SC1)C(=O)O
InChI
InChI=1S/C17H19N3O5S/c1-2-8-7-26-16-12(15(23)20(16)13(8)17(24)25)19-14(22)11(18)9-3-5-10(21)6-4-9/h3-6,11-12,16,21H,2,7,18H2,1H3,(H,19,22)(H,24,25)/t11-,12-,16-/m1/s1
InChIKey
VPGPNEAHLAGGHS-XHBSWPGZSA-N
Chemical Structure
2D Structure
2D structure of Cefadroxil ethyl homolog
CAS: 2243976-70-5
CID: 153091599
Formula: C17H19N3O5S
MW: 377.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight377.4
XLogP3-1.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass377.10454189
Monoisotopic Mass377.10454189
Topological Polar Surface Area158 Ų
Heavy Atom Count26
Formal Charge0
Complexity644
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

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