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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
Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula C21H27N5O7S
Molecular Weight 493.533
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

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.

Originator

Approval Year

Unknown
139594
Targets

Targets

Primary TargetPharmacologyConditionPotency
Binding Agent
1064
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Peritonitis
22
Sources: http://www.229877.com/article/2012/1209/31983.html DOI: 10.1016/S0065-7743(08)60861-1
 Curative
Approved
8429
Doyle

Approved Use

It is reportedly effective in the treatment of peritonitis
Pneumonia
90
Sources: DOI: 10.1016/S0065-7743(08)60861-1 http://www.229877.com/article/2012/1209/31983.html
 Curative
Approved
8429
Doyle

Approved Use

It is used for treatment of pneumonia
Bronchitis
51
Sources: DOI: 10.1016/S0065-7743(08)60861-1 http://www.229877.com/article/2012/1209/31983.html
 Curative
Approved
8429
Doyle

Approved Use

It is used for treatment of chronic and acute bronchitis
PubMed

PubMed

TitleDatePubMed
Antimicrobial susceptibility of Pasteurella multocida isolated from cattle and pigs.
2001 Sep
Comparative in vitro activity of 16 antimicrobial agents against Actinobacillus pleuropneumoniae.
2002 Jan
Patents

Patents

US4053609 A
2

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.
Substance Class Chemical
Created
by admin
on Sat Dec 16 06:40:17 GMT 2023
Edited
by admin
on Sat Dec 16 06:40:17 GMT 2023
Record UNII
QL05X0PL6T
Record Status Validated (UNII)
Record Version
  • Download
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
Related Record Type Details
Structure of ASPOXICILLIN
ANHYDROUS->SOLVATE
Related Record Type Details
Structure of ASPOXICILLIN
ACTIVE MOIETY
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