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Progabide
62666-20-0 | DTXSID00878140
Searched by Approved Name: Found 1 result for 'PROGABIDE'.

Wikipedia

Intrinsic Properties
Molecular Formula: C17H16ClFN2O2
Average Mass: 334.78 g/mol
Monoisotopic Mass: 334.088434 g/mol
Structural Identifiers
IUPAC Name: 4-{(E)-[(4-Chlorophenyl)(5-fluoro-2-hydroxyphenyl)methylidene]amino}butanimidic acid
SMILES: OC(=N)CCC\N=C(/C1=CC=C(Cl)C=C1)C1=C(O)C=CC(F)=C1
InChI String: InChI=1S/C17H16ClFN2O2/c18-12-5-3-11(4-6-12)17(21-9-1-2-16(20)23)14-10-13(19)7-8-15(14)22/h3-8,10,22H,1-2,9H2,(H2,20,23)/b21-17+
Presence in Lists

Record Information
Citation
U.S. Environmental Protection Agency. Chemistry Dashboard. https://comptox.epa.gov/dashboard/DTXSID00878140 (accessed April 25, 2018), Progabide
Data Quality
Level 1:Expert curated, highest confidence in accuracy and consistency of unique chemical identifiers
Level 2:Expert curated, unique chemical identifiers using multiple sources
Level 3:Programmatically curated from high quality EPA source, unique chemical identifiers have no conflicts in ChemID and PubChem
Level 4:Programmatically curated from ChemID, unique chemical identifiers have no conflicts in PubChem
Level 5:Programmatically curated from ACToR or PubChem, unique chemical identifiers with low confidence, single public source
Quality Control Notes
No Quality Control Notes.
Property |
Average |
Median |
Range |
Unit |
|||
---|---|---|---|---|---|---|---|
Experimental |
Predicted |
Experimental |
Predicted |
Experimental |
Predicted |
||
LogP: Octanol-Water |
3.06 (1) |
2.91 (1) |
- | - | - | - | - |
Water Solubility |
- |
6.47e-04 (1) |
- | - | - | - |
mol/L |
Melting Point |
134 (1) |
145 (1) |
- | - | - | - |
°C |
Boiling Point |
- |
340 (1) |
- | - | - | - |
°C |
Vapor Pressure |
- |
1.06e-09 (1) |
- | - | - | - |
mmHg |
LogKoa: Octanol-Air |
- |
9.37 (1) |
- | - | - | - | - |
Henry's Law |
- |
2.91e-10 (1) |
- | - | - | - |
atm-m3/mole |
LogP: Octanol-Water |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental |
3.06 (1) |
- |
- |
Predicted |
2.91 (1) |
- |
- |
Experimental | ||||
---|---|---|---|---|
Source |
Result |
|||
PhysPropNCCT |
3.06 |
|||
Predicted | ||||
Source |
Result |
Calculation Details |
QMRF |
|
OPERA |
2.91 |
OPERA Model Report |
Available |
Water Solubility |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
6.47e-04 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
OPERA |
6.47e-04 mol/L |
OPERA Model Report |
Available |
Melting Point |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental |
134 (1) |
- |
- |
Predicted |
145 (1) |
- |
- |
Experimental | ||||
---|---|---|---|---|
Source |
Result |
|||
PhysPropNCCT |
134 °C |
|||
Predicted | ||||
Source |
Result |
Calculation Details |
QMRF |
|
OPERA |
145 °C |
OPERA Model Report |
Available |
Boiling Point |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
340 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
OPERA |
340 °C |
OPERA Model Report |
Available |
Vapor Pressure |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
1.06e-09 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
OPERA |
1.06e-09 mmHg |
OPERA Model Report |
Available |
LogKoa: Octanol-Air |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
9.37 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
OPERA |
9.37 |
OPERA Model Report |
Available |
Henry's Law |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
2.91e-10 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
OPERA |
2.91e-10 atm-m3/mole |
OPERA Model Report |
Available |
Property |
Average |
Median |
Range |
Unit |
|||
---|---|---|---|---|---|---|---|
Experimental |
Predicted |
Experimental |
Predicted |
Experimental |
Predicted |
||
Soil Adsorp. Coeff. |
- |
846 (1) |
- | - | - | - |
L/kg |
Atmos. Hydroxylation Rate |
- |
2.02e-11 (1) |
- | - | - | - |
cm3/molecule*sec |
Biodeg. Half-Life |
- |
4.38 (1) |
- | - | - | - |
days |
Fish Biotrans. Half-Life (Km) |
- |
3.87e-01 (1) |
- | - | - | - |
days |
Bioconcentration Factor |
- |
139 (1) |
- | - | - | - | - |
Soil Adsorp. Coeff. |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
846 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
OPERA |
846 L/kg |
OPERA Model Report |
Available |
Atmos. Hydroxylation Rate |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
2.02e-11 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
OPERA |
2.02e-11 cm3/molecule*sec |
OPERA Model Report |
Available |
Biodeg. Half-Life |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
4.38 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
OPERA |
4.38 days |
OPERA Model Report |
Available |
Fish Biotrans. Half-Life (Km) |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
3.87e-01 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
OPERA |
3.87e-01 days |
OPERA Model Report |
Available |
Bioconcentration Factor |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
139 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
OPERA |
139 |
OPERA Model Report |
Available |

Found 4 synonyms
- Legend:
- Valid Synonyms
- Good Synonyms
- Other Synonyms
Progabide |
4-{(E)-[(4-Chlorophenyl)(5-fluoro-2-hydroxyphenyl)methylidene]amino}butanimidic acid |
Butanimidic acid, 4-[[(1E)-(4-chlorophenyl)(5-fluoro-2-hydroxyphenyl)methylene]amino]- |
62666-20-0 Active CAS-RN |




National Health and Nutrition Examination Survey (NHANES) Inferences
There is no exposure monitoring data available.
Exposure Predictions
There is no exposure data available.


Searched with a similarity threshold of 0.8
Executive Summary
