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Cefadroxil Impurity 7

CAT: 1299-RM-C042407-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C042407-01Size:10 mg
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CAS Number
147103-94-4
Synonyms
(6R,7R) -7- ((R) -2-amino-2- (4-hydroxyphenyl) acetamido) -3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid
Molecular Formula
C16H17N3O5S
Molecular Weight
363.39
Target Alternative Name
Cefadroxil
Product Name Synonym
(6R,7R) -7- ((R) -2-amino-2- (4-hydroxyphenyl) acetamido) -3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid

Chemical Information

delta2-Cefadroxil
CAS Number147103-94-4
PubChem CID131667600
IUPAC Name(6R,7R)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid
Molecular FormulaC16H17N3O5S
Molecular Weight363.4
XLogP-2.3
Topological Polar Surface Area158
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity617
SMILES
CC1=CS[C@@H]2[C@@H](C(=O)N2C1C(=O)O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N
InChI
InChI=1S/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-6,10-12,15,20H,17H2,1H3,(H,18,21)(H,23,24)/t10-,11-,12?,15-/m1/s1
InChIKey
VCALASAGQUABEC-XOGJBXBPSA-N
Chemical Structure
2D Structure
2D structure of delta2-Cefadroxil
CAS: 147103-94-4
CID: 131667600
Formula: C16H17N3O5S
MW: 363.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight363.4
XLogP3-2.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass363.08889182
Monoisotopic Mass363.08889182
Topological Polar Surface Area158 Ų
Heavy Atom Count25
Formal Charge0
Complexity617
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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