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Losartan carboxylic acid
124750-92-1 | DTXSID80154474

Searched by Approved Name: Found 1 result for 'EXP3174'.

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Intrinsic Properties

Molecular Formula: C22H21ClN6O2

Average Mass: 436.9 g/mol

Monoisotopic Mass: 436.141452 g/mol

Structural Identifiers

IUPAC Name: 2-Butyl-4-chloro-1-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-1H-imidazole-5-carboxylic acid

SMILES: CCCCC1=NC(Cl)=C(N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1)C(O)=O

InChI String: InChI=1S/C22H21ClN6O2/c1-2-3-8-18-24-20(23)19(22(30)31)29(18)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)21-25-27-28-26-21/h4-7,9-12H,2-3,8,13H2,1H3,(H,30,31)(H,25,26,27,28)

InChIKey: ZEUXAIYYDDCIRX-UHFFFAOYSA-N

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Structural Skeleton Full Structure

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Citation

U.S. Environmental Protection Agency. Chemistry Dashboard. https://comptox.epa.gov/dashboard/DTXSID80154474 (accessed April 22, 2018), Losartan carboxylic acid

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

Loaded based on no conflicts with this data in chemid and pubchem

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

LogP: Octanol-Water

-

4.28 (5)

-

4.49

-

3.41 to 4.81

-

Water Solubility

-

6.73e-05 (4)

-

1.97e-06

-

3.20e-07 to 2.65e-04

mol/L

Density

-

1.48 (2)

-

1.48

-

1.41 to 1.54

g/cm^3

Flash Point

-

367 (2)

-

367

-

353 to 382

°C

Melting Point

-

247 (4)

-

246

-

183 to 313

°C

Boiling Point

-

528 (5)

-

578

-

310 to 714

°C

Surface Tension

-

56.7 (1)

- - - -

dyn/cm

Vapor Pressure

-

1.93e-10 (3)

-

2.17e-10

-

0.0 to 3.62e-10

mmHg

LogKoa: Octanol-Air

-

9.63 (1)

- - - - -

Henry's Law

-

7.58e-10 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.70 (1)

- - - - -

Molar Refractivity

-

119 (1)

- - - -

cm^3

Molar Volume

-

310 (1)

- - - -

cm^3

Polarizability

-

47.2 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

4.28 (5)

4.49

3.41 to 4.81

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

4.81

Not Available

Not Available

NICEATM

3.41

Not Available

Available

ACD/Labs Consensus

4.49

Not Available

Not Available

ACD/Labs

4.80

Not Available

Not Available

OPERA

3.88

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

6.73e-05 (4)

1.97e-06

3.20e-07 to 2.65e-04

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

3.20e-07 mol/L

Not Available

Not Available

NICEATM

3.21e-07 mol/L

Not Available

Available

OPERA

2.65e-04 mol/L

OPERA Model Report

Available

TEST

3.61e-06 mol/L

TEST Report

Not Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.48 (2)

1.48

1.41 to 1.54

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.41 g/cm^3

Not Available

Not Available

TEST

1.54 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

367 (2)

367

353 to 382

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

382 °C

Not Available

Not Available

TEST

353 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental - - -
Predicted

247 (4)

246

183 to 313

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

313 °C

Not Available

Not Available

NICEATM

219 °C

Not Available

Available

OPERA

183 °C

OPERA Model Report

Available

TEST

274 °C

TEST Report

Not Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

528 (5)

578

310 to 714

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

714 °C

Not Available

Not Available

NICEATM

310 °C

Not Available

Available

ACD/Labs

708 °C

Not Available

Not Available

TEST

578 °C

TEST Report

Not Available

OPERA

328 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

56.7 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

56.7 dyn/cm

Not Available

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

1.93e-10 (3)

2.17e-10

0.0 to 3.62e-10

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

2.17e-10 mmHg

Not Available

Available

ACD/Labs

0.0 mmHg

Not Available

Not Available

OPERA

3.62e-10 mmHg

OPERA Model Report

Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

9.63 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

9.63

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

7.58e-10 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

7.58e-10 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.70 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.70

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

119 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

119 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

310 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

310 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

47.2 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

47.2 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

2640 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

1.34e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

4.34 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

1.56e-01 (1)

- - - -

days

Bioconcentration Factor

-

3.65 (3)

-

3.08

-

2.60 to 5.26

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

2640 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2640 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

1.34e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.34e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

4.34 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

4.34 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

1.56e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.56e-01 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

3.65 (3)

3.08

2.60 to 5.26

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

3.08

Not Available

Available

TEST

5.26

TEST Report

Not Available

OPERA

2.60

OPERA Model Report

Available

Found 6 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Losartan carboxylic acid
2-Butyl-4-chloro-1-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-1H-imidazole-5-carboxylic acid
1H-Imidazole-5-carboxylic acid, 2-butyl-4-chloro-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-
124750-92-1 Active CAS-RN
EXP 3174
losartan carboxylic acid
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National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Exposure Predictions

There is no exposure data available.

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Executive Summary

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