ASPOXICILLIN TRIHYDRATE

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 Search

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

Targets

Primary Target	Pharmacology	Condition	Potency
Bacterial penicillin-binding protein 233 Target ID: CHEMBL2354204 Sources: http://www.ncbi.nlm.nih.gov/pubmed/3043036 \| http://www.ncbi.nlm.nih.gov/pubmed/10817702	Binding Agent 1064

Conditions

Condition	Modality	Highest Phase	Product
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

Title	Date	PubMed

Patents

Sample Use Guides

In Vivo Use Guide

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

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Name

Type

Language

ASPOXICILLIN TRIHYDRATE

Common Name

English

ASPOXICILLIN HYDRATE [JAN]

Common Name

English

ASPOXICILLIN HYDRATE

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


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ASPOXICILLIN

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					0745KNO26J

ASPOXICILLIN

ACTIVE MOIETY

Details

SMILES

InChI

DescriptionSources: DOI: 10.1016/S0065-7743(08)60861-1Curator'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

Originator

Approval Year

Targets

Conditions

Approved Use

Approved Use

Approved Use

PubMed

Patents

Sample Use Guides

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