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Losartan
114798-26-4 | DTXSID7023227

Searched by DSSTox_Substance_Id: Found 1 result for 'DTXSID7023227'.

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Intrinsic Properties

Molecular Formula: C22H23ClN6O

Average Mass: 422.92 g/mol

Monoisotopic Mass: 422.162187 g/mol

Structural Identifiers

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

SMILES: CCCCC1=NC(Cl)=C(CO)N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NN=NN1

InChI String: InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)

InChIKey: PSIFNNKUMBGKDQ-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/DTXSID7023227 (accessed July 20, 2018), Losartan

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

No Quality Control Notes.

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

LogP: Octanol-Water

-

3.64 (5)

-

3.65

-

3.27 to 4.01

-

Water Solubility

-

3.74e-06 (4)

-

4.29e-06

-

9.17e-08 to 6.29e-06

mol/L

Density

-

1.41 (2)

-

1.41

-

1.35 to 1.47

g/cm^3

Flash Point

-

359 (2)

-

359

-

352 to 366

°C

Melting Point

184 (3)

227 (4)

184

213

183 to 184

182 to 300

°C

Boiling Point

-

514 (5)

-

560

-

311 to 687

°C

Surface Tension

-

53.3 (1)

- - - -

dyn/cm

Vapor Pressure

-

5.48e-09 (3)

-

7.68e-10

-

0.0 to 1.57e-08

mmHg

LogKoa: Octanol-Air

-

9.62 (1)

- - - - -

Henry's Law

-

1.03e-07 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.68 (1)

- - - - -

Molar Refractivity

-

118 (1)

- - - -

cm^3

Molar Volume

-

313 (1)

- - - -

cm^3

Polarizability

-

46.9 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

3.64 (5)

3.65

3.27 to 4.01

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

4.01

Not Available

Not Available

NICEATM

3.73

Not Available

Available

ACD/Labs Consensus

3.27

Not Available

Not Available

ACD/Labs

3.56

Not Available

Not Available

OPERA

3.65

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

3.74e-06 (4)

4.29e-06

9.17e-08 to 6.29e-06

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

6.29e-06 mol/L

Not Available

Not Available

NICEATM

9.17e-08 mol/L

Not Available

Available

OPERA

4.29e-06 mol/L

OPERA Model Report

Available

TEST

4.30e-06 mol/L

TEST Report

Not Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.41 (2)

1.41

1.35 to 1.47

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.35 g/cm^3

Not Available

Not Available

TEST

1.47 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

359 (2)

359

352 to 366

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

366 °C

Not Available

Not Available

TEST

352 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental

184 (3)

184

183 to 184

Predicted

227 (4)

213

182 to 300

Experimental

Source

Result

Jean-Claude Bradley Open Melting Point Dataset

184 °C

Biosynth

183 °C

PhysPropNCCT

184 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

300 °C

Not Available

Not Available

NICEATM

201 °C

Not Available

Available

TEST

225 °C

TEST Report

Not Available

OPERA

182 °C

OPERA Model Report

Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

514 (5)

560

311 to 687

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

687 °C

Not Available

Not Available

NICEATM

311 °C

Not Available

Available

ACD/Labs

682 °C

Not Available

Not Available

TEST

560 °C

TEST Report

Not Available

OPERA

329 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

53.3 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

53.3 dyn/cm

Not Available

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

5.48e-09 (3)

7.68e-10

0.0 to 1.57e-08

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

1.57e-08 mmHg

Not Available

Available

ACD/Labs

0.0 mmHg

Not Available

Not Available

OPERA

7.68e-10 mmHg

OPERA Model Report

Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

9.62 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

9.62

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

1.03e-07 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.03e-07 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.68 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.68

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

118 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

118 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

313 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

313 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

46.9 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

46.9 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

13400 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

2.01e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

4.35 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

2.23e-01 (1)

- - - -

days

Bioconcentration Factor

-

14.6 (3)

-

17.3

-

3.85 to 22.5

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

13400 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

13400 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

2.01e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.01e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

4.35 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

4.35 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

2.23e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.23e-01 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

14.6 (3)

17.3

3.85 to 22.5

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

3.85

Not Available

Available

TEST

17.3

TEST Report

Not Available

OPERA

22.5

OPERA Model Report

Available

Found 9 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Losartan
(2-Butyl-4-chloro-1-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-1H-imidazol-5-yl)methanol
1H-Imidazole-5-methanol, 2-butyl-4-chloro-1-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-
114798-26-4 Active CAS-RN
1H-Imidazole-5-methanol, 2-butyl-4-chloro-1-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-
UNII-JMS50MPO89 FDA Registry Number
2-Butyl-4-chloro-1-((2'-(1H-etrazol-5-yl) (1,1'-biphenyl)-4-yl)methyl)-1H-imidazole-5-methanol
(2-butyl-4-chloro-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1H-imidazol-5-yl)methanol
2-n-butyl-4-chloro-5-hydroxymethyl-1-[(2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl]imidazole
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National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Download as:

2156th highest exposure

Exposure Predictions (mg/kg-bw/day)

Median

95th Percentile

Ages 6-11

3.65e-07

2.84e-05

Ages 12-19

3.52e-07

2.74e-05

Ages 20-65

2.60e-07

2.68e-05

Ages 65+

3.40e-07

1.93e-05

BMI > 30

2.64e-07

1.98e-05

BMI < 30

3.39e-07

2.22e-05

Repro. Age Females

3.53e-07

2.38e-05

Females

2.79e-07

1.47e-05

Males

2.18e-07

2.20e-05

Total

2.89e-07

1.92e-05

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