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Amoxicillin Open-ring Methyl Ester

CAT: 1596-AR-A03240-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A03240-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
185802-22-6
Synonyms
Amoxicillin EP Impurity P; (2S,4S) -2- ((R) -1- ((R) -2-amino-2- (4-hydroxyphenyl) acetamido) -2-methoxy-2-oxoethyl) -5,5-dimethylthiazolidine-4-carboxylic acid; (?R,2S,4S) -?-[[ (2R) -amino (4-hydroxyphenyl) acetyl]amino]-4-carboxy-5,5-dimethyl-2-Thiazolidineacetic acid ?-methyl ester; [2S-[2?[S* (S*) ],4?]]-?-[[amino (4-hydroxyphenyl) acetyl]amino]-4-carboxy-5,5-dimethyl-2-Thiazolidineacetic acid, ?-methyl ester
Molecular Formula
C17H23N3O6S
Molecular Weight
397.45
API Name
Amoxicillin

Chemical Information

Amoxicillin Open Ring Methyl Ester
CAS Number185802-22-6
PubChem CID169432399
IUPAC Name(2S,4S)-2-[(1R)-1-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-2-methoxy-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Molecular FormulaC17H23N3O6S
Molecular Weight397.4
XLogP-1.9
Topological Polar Surface Area176
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity579
SMILES
CC1([C@@H](N[C@@H](S1)[C@@H](C(=O)OC)NC(=O)[C@@H](C2=CC=C(C=C2)O)N)C(=O)O)C
InChI
InChI=1S/C17H23N3O6S/c1-17(2)12(15(23)24)20-14(27-17)11(16(25)26-3)19-13(22)10(18)8-4-6-9(21)7-5-8/h4-7,10-12,14,20-21H,18H2,1-3H3,(H,19,22)(H,23,24)/t10-,11+,12+,14+/m1/s1
InChIKey
QKTLHABRTBGSQT-UHXUPSOCSA-N
Chemical Structure
2D Structure
2D structure of Amoxicillin Open Ring Methyl Ester
CAS: 185802-22-6
CID: 169432399
Formula: C17H23N3O6S
MW: 397.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight397.4
XLogP3-1.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass397.13075664
Monoisotopic Mass397.13075664
Topological Polar Surface Area176 Ų
Heavy Atom Count27
Formal Charge0
Complexity579
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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