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Cefadroxil Impurity 26

CAT: 1299-RM-C042426-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C042426-02Size:25 mg
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CAS Number
147103-95-5
Synonyms
(6R,7R) -7- ((R) -2- ((R) -2-amino-2- (4-hydroxyphenyl) acetamido) -2- (4-hydroxyphenyl) acetamido) -3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Formula
C24H24N4O7S
Molecular Weight
512.53
Target Alternative Name
Cefadroxil
Product Name Synonym
(6R,7R) -7- ((R) -2- ((R) -2-amino-2- (4-hydroxyphenyl) acetamido) -2- (4-hydroxyphenyl) acetamido) -3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Chemical Information

Unii-01xwd8G9Y2
CAS Number147103-95-5
PubChem CID76972488
IUPAC Name(6R,7R)-7-[[(2R)-2-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular FormulaC24H24N4O7S
Molecular Weight512.5
XLogP-1.4
Topological Polar Surface Area208
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count36
Formal Charge0
Complexity927
SMILES
CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)NC(=O)[C@@H](C4=CC=C(C=C4)O)N)SC1)C(=O)O
InChI
InChI=1S/C24H24N4O7S/c1-11-10-36-23-18(22(33)28(23)19(11)24(34)35)27-21(32)17(13-4-8-15(30)9-5-13)26-20(31)16(25)12-2-6-14(29)7-3-12/h2-9,16-18,23,29-30H,10,25H2,1H3,(H,26,31)(H,27,32)(H,34,35)/t16-,17-,18-,23-/m1/s1
InChIKey
JZWUWLJCMMPASK-YTSMVRMISA-N
Chemical Structure
2D Structure
2D structure of Unii-01xwd8G9Y2
CAS: 147103-95-5
CID: 76972488
Formula: C24H24N4O7S
MW: 512.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight512.5
XLogP3-1.4
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass512.13657029
Monoisotopic Mass512.13657029
Topological Polar Surface Area208 Ų
Heavy Atom Count36
Formal Charge0
Complexity927
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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