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Amoxicilloic Acid

CAT: 1596-AR-A04690-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A04690-02Size:25 Units
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CAS Number
57457-65-5
Synonyms
α-[[2-Amino-2- (4-hydroxyphenyl) acetyl]amino]-4-carboxy-5,5-dimethyl-2-thiazolidineacetic acid
Molecular Formula
C16H21N3O6S
API Name
Amoxicilloic

Chemical Information

Amoxicillin Impurity 19
CAS Number57457-65-5
PubChem CID22620814
IUPAC Name2-[[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]-carboxymethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Molecular FormulaC16H21N3O6S
Molecular Weight383.4
XLogP-4.6
Topological Polar Surface Area187
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity564
SMILES
CC1(C(NC(S1)C(C(=O)O)NC(=O)C(C2=CC=C(C=C2)O)N)C(=O)O)C
InChI
InChI=1S/C16H21N3O6S/c1-16(2)11(15(24)25)19-13(26-16)10(14(22)23)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,13,19-20H,17H2,1-2H3,(H,18,21)(H,22,23)(H,24,25)
InChIKey
LHHKJQFIKHAUIA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Amoxicillin Impurity 19
CAS: 57457-65-5
CID: 22620814
Formula: C16H21N3O6S
MW: 383.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight383.4
XLogP3-4.6
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass383.11510657
Monoisotopic Mass383.11510657
Topological Polar Surface Area187 Ų
Heavy Atom Count26
Formal Charge0
Complexity564
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
A177780N-Acetyl Amoxicilloic Acid
TRC-A612475-25MGAmoxicilloic Acid Dimer (Mixture of Diastereomers)
TRC-A737410-10MGN-Acetyl Amoxicilloic Acid Disodium Salt
MBS6083807-01Medronic Acid (Methylenebiphosphonic Acid, Methylenediphosphonic Acid, Methanebisphosphonic Acid, Methanediphosphonic Acid, MDP)
OR1071368-01Acid-apeg6-acid
L2500-01Lipoic Acid (Thioctic Acid, (±) -α-Lipoic Acid)
041005Cacodylic Acid (dimethylarsonic acid, dimethylarsinic acid)
O5678Octanoic acid (Caorylic acid)
FR11870-01Ribonucleic acid free acid
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