Amoxicillin

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Systematic / IUPAC Name: (2S,5R,6R)-6-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

ID: Reference1882

Other Names: 6-(p-Hydroxy-α-aminophenylacetamido)penicillanic acid;
Actimoxi;
Amox;
Amoxibiotic;
Apo-amoxi ; more

Formula: C16H19N3O5S

Class: Therapeutics/Prescription Drugs

Spectral Data

Amoxicillin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP ; Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 7
No. of Spectra 2040
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 1/8/2015 11:31:57 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1
InChI Key LSQZJLSUYDQPKJ-NJBDSQKTSA-N
Canonical SMILES CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)O)C
CAS 26787780
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Other Names 6-(p-Hydroxy-α-aminophenylacetamido)penicillanic acid;
Actimoxi;
Amox;
Amoxibiotic;
Apo-amoxi;
Biomox;
Lamoxy;
Ospamox;
Pamoxicillin;
α-Amino-p-hydroxybenzylpenicillin;
(-)-6-[2-Amino-2-(p-hydroxyphenyl)acetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo-(3.2.0)heptane-2-carboxylic acid;
4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-{[(2R)-amino(4-hydroxyphenyl)acetyl]amino}-3,3-dimethyl-7-oxo, (2S,5R,6R)-;
4-Thia-1-azobicyclo(3.2.0)heptane-2-carboxylic acid, 6-{[amino(4-hydroxyphenyl)acetyl]amino}-3,3-dimethyl-7-oxo, (2S-(2α,5α,6β(S)))-;
6-[D-(-)-p-Hydroxy-α-aminobenzyl]penicillin;
6-[D-(-)-α-Amino-p-hydroxyphenylacetamido]penicillanic acid;
6β-[(2R)-2-Amino-2-(4-hydroxyphenyl)acetamido]-2,2-dimethylpenam-3α-carboxylic acid;
Amoclen;
Amolin;
Amopen;
Amopenixin;
Amoxi;
Amoxiden;
Amoxil;
Amoxi-mast;
Amoxivet;
Amoxycillin;
Ampc;
Anemolin;
Aspenil;
Bristamox;
Cemoxin;
D-(-)-α-Amino-p-hydroxybenzylpenicillin;
D-Amoxicillin;
Delacillin;
Dispermox;
Efpenix;
Flemoxin;
Hiconcil;
Histocillin;
Imacillin;
Larotid;
Moxacin;
Moxal;
Moxatag;
p-Hydroxyampicillin;
Piramox;
Polymox;
Robamox;
Sawamox PM;
Sumox;
Trimox;
Unicillin;
Utimox;
Vetramox;
Wymox

In Other Databases

ChEBI CHEBI:2676
ChemSpider 31006
ChemIDPlus 026787780; 074469004; 079198291; 034642778
PubChem 33613
Wikipedia Amoxicillin
ChEMBL CHEMBL1082
DrugBank APRD00248
KEGG C06827; C06828; D00230; D02925; D07452
HMDb HMDB15193