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Cefradine EP Impurity E

CAT: 1299-RM-C060505-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C060505-03Size:50 mg
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CAS Number
215172-75-1
Synonyms
(6R,7R) -7- ((R) -2-amino-2- (2-hydroxyphenyl) acetamido) -3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Formula
C16H17N3O5S
Molecular Weight
363.39
Target Alternative Name
Cefradine
Product Name Synonym
(6R,7R) -7- ((R) -2-amino-2- (2-hydroxyphenyl) acetamido) -3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Chemical Information

2-Hydroxy Cephalexin
CAS Number215172-75-1
PubChem CID129010473
IUPAC Name(6R,7R)-7-[[(2R)-2-amino-2-(2-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular FormulaC16H17N3O5S
Molecular Weight363.4
XLogP0.8
Topological Polar Surface Area158
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity637
SMILES
CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3O)N)SC1)C(=O)O
InChI
InChI=1S/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-4-2-3-5-9(8)20/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24)/t10-,11-,15-/m1/s1
InChIKey
CUXVKLLSHPANDN-UEKVPHQBSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxy Cephalexin
CAS: 215172-75-1
CID: 129010473
Formula: C16H17N3O5S
MW: 363.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight363.4
XLogP30.8
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
Complexity637
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