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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H27N5O7S.3H2O
Molecular Weight 547.579
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ASPOXICILLIN TRIHYDRATE

SMILES

O.O.O.[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)[C@H](N)CC(=O)NC)C3=CC=C(O)C=C3)C(O)=O

InChI

InChIKey=TXQFNMPGORBMME-GPIZLFNGSA-N
InChI=1S/C21H27N5O7S.3H2O/c1-21(2)15(20(32)33)26-18(31)14(19(26)34-21)25-17(30)13(9-4-6-10(27)7-5-9)24-16(29)11(22)8-12(28)23-3;;;/h4-7,11,13-15,19,27H,8,22H2,1-3H3,(H,23,28)(H,24,29)(H,25,30)(H,32,33);3*1H2/t11-,13-,14-,15+,19-;;;/m1.../s1

HIDE SMILES / InChI

Description
Sources: DOI: 10.1016/S0065-7743(08)60861-1
Curator's Comment: description was created based on several sources, including: http://www.drugfuture.com/chemdata/ASPOXICILLIN.html http://www.120ty.net/bencandy.php?fid=232&id=36758 http://www.229877.com/article/2012/1209/31983.html

Aspoxicillin is an injectable, amino acid-type penicillin highly active against Gram-positive ad Gram-negative bacteria, including the beta-lactamase producing Bacillus fragilis. It is reportedly effective in the treatment of peritonitis, pneumonia and bronchitis. Adverse reactions are: rash, urticaria, skin itching, vomiting, abdominal pain.

Approval Year

TargetsConditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Sources: http://www.229877.com/article/2012/1209/31983.html DOI: 10.1016/S0065-7743(08)60861-1
Curative
Doyle

Approved Use

It is reportedly effective in the treatment of peritonitis
Sources: DOI: 10.1016/S0065-7743(08)60861-1 http://www.229877.com/article/2012/1209/31983.html
Curative
Doyle

Approved Use

It is used for treatment of pneumonia
Sources: DOI: 10.1016/S0065-7743(08)60861-1 http://www.229877.com/article/2012/1209/31983.html
Curative
Doyle

Approved Use

It is used for treatment of chronic and acute bronchitis
PubMed

PubMed

TitleDatePubMed
Aspoxicillin versus piperacillin in severe abdominal infections--a comparative phase III study.
1994 Nov
Morphological changes and lysis induced by beta-lactams associated with the characteristic profiles of affinities of penicillin-binding proteins in actinobacillus pleuropneumoniae.
2000 Jun
Comparative in vitro activity of 16 antimicrobial agents against Actinobacillus pleuropneumoniae.
2002 Jan
Patents

Patents

Sample Use Guides

In Vivo Use Guide
Curator's Comment: For children: 40-80 mg/kg; in severe cases – 60 mg/kg, 2-4 injections per day
1-2 g twice a day, in severe infections – 6-8 g per day
Route of Administration: Intravenous
In Vitro Use Guide
The MIC90 values of aspoxicillin was 0.05 ug/ml for Actinobacillus pleuropneumoniae.
Name Type Language
ASPOXICILLIN TRIHYDRATE
Common Name English
ASPOXICILLIN HYDRATE [JAN]
Common Name English
ASPOXICILLIN HYDRATE
JAN  
Common Name English
GLYCINAMIDE, N-METHYL-D-ASPARAGINYL-N-((2S,5R,6R)-2-CARBOXY-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO(3.2.0)HEPT-6-YL)-2-(4-HYDROXYPHENYL)-, HYDRATE (1:3), (2R)-
Common Name English
Code System Code Type Description
PUBCHEM
12905357
Created by admin on Sat Dec 16 06:40:17 GMT 2023 , Edited by admin on Sat Dec 16 06:40:17 GMT 2023
PRIMARY
EPA CompTox
DTXSID80151908
Created by admin on Sat Dec 16 06:40:17 GMT 2023 , Edited by admin on Sat Dec 16 06:40:17 GMT 2023
PRIMARY
CAS
117774-38-6
Created by admin on Sat Dec 16 06:40:17 GMT 2023 , Edited by admin on Sat Dec 16 06:40:17 GMT 2023
PRIMARY
FDA UNII
QL05X0PL6T
Created by admin on Sat Dec 16 06:40:17 GMT 2023 , Edited by admin on Sat Dec 16 06:40:17 GMT 2023
PRIMARY