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Cefuroxime
55268-75-2 | DTXSID5022774

Searched by CAS-RN: Found 1 result for '55268-75-2'.

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Intrinsic Properties

Molecular Formula: C16H16N4O8S

Average Mass: 424.38 g/mol

Monoisotopic Mass: 424.068885 g/mol

Structural Identifiers

IUPAC Name: (6R,7R)-3-[(Carbamoyloxy)methyl]-7-[2-(furan-2-yl)(methoxyimino)acetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

SMILES: CON=C(C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)C1=CC=CO1

InChI String: InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/t10-,14-/m1/s1

InChIKey: JFPVXVDWJQMJEE-QMTHXVAHSA-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/DTXSID5022774 (accessed April 25, 2018), Cefuroxime

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

-0.160 (1)

8.12e-02 (5)

-

1.03e-01

-0.160

-0.327 to 4.68e-01

-

Water Solubility

-

1.22e-02 (4)

-

4.66e-04

-

9.35e-07 to 4.77e-02

mol/L

Density

-

1.76 (1)

- - - -

g/cm^3

Melting Point

-

220 (4)

-

204

-

182 to 289

°C

Boiling Point

-

412 (3)

-

296

-

275 to 664

°C

Surface Tension

-

78.1 (1)

- - - -

dyn/cm

Vapor Pressure

-

5.32e-10 (3)

-

7.00e-12

-

3.27e-13 to 1.59e-09

mmHg

LogKoa: Octanol-Air

-

9.41 (1)

- - - - -

Henry's Law

-

1.40e-11 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.74 (1)

- - - - -

Molar Refractivity

-

96.7 (1)

- - - -

cm^3

Molar Volume

-

241 (1)

- - - -

cm^3

Polarizability

-

38.3 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental

-0.160 (1)

-

-0.160

Predicted

8.12e-02 (5)

1.03e-01

-0.327 to 4.68e-01

Experimental

Source

Result

PhysPropNCCT

-0.160

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

0.29

Not Available

Not Available

NICEATM

-0.327

Not Available

Available

ACD/Labs Consensus

1.03e-01

Not Available

Not Available

ACD/Labs

4.68e-01

Not Available

Not Available

OPERA

-0.128

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

1.22e-02 (4)

4.66e-04

9.35e-07 to 4.77e-02

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

3.41e-04 mol/L

Not Available

Not Available

NICEATM

9.35e-07 mol/L

Not Available

Available

OPERA

4.77e-02 mol/L

OPERA Model Report

Available

TEST

5.92e-04 mol/L

TEST Report

Not Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.76 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.76 g/cm^3

Not Available

Not Available

Melting Point

Average

Median

Range

Experimental - - -
Predicted

220 (4)

204

182 to 289

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

289 °C

Not Available

Not Available

NICEATM

182 °C

Not Available

Available

TEST

206 °C

TEST Report

Not Available

OPERA

201 °C

OPERA Model Report

Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

412 (3)

296

275 to 664

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

664 °C

Not Available

Not Available

NICEATM

296 °C

Not Available

Available

OPERA

275 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

78.1 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

78.1 dyn/cm

Not Available

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

5.32e-10 (3)

7.00e-12

3.27e-13 to 1.59e-09

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

3.27e-13 mmHg

Not Available

Available

TEST

7.00e-12 mmHg

TEST Report

Not Available

OPERA

1.59e-09 mmHg

OPERA Model Report

Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

9.41 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

9.41

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

1.40e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.40e-11 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.74 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.74

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

96.7 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

96.7 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

241 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

241 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

38.3 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

38.3 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

59.3 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

4.85e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

2.94 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

3.27e-01 (1)

- - - -

days

Bioconcentration Factor

-

1.21 (3)

-

3.48e-01

-

2.02e-04 to 3.29

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

59.3 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

59.3 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

4.85e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

4.85e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

2.94 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.94 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

3.27e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.27e-01 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

1.21 (3)

3.48e-01

2.02e-04 to 3.29

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

2.02e-04

Not Available

Available

TEST

3.48e-01

TEST Report

Not Available

OPERA

3.29

OPERA Model Report

Available

Found 21 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Cefuroxime
(6R,7R)-3-[(Carbamoyloxy)methyl]-7-[2-(furan-2-yl)(methoxyimino)acetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(aminocarbonyl)oxy]methyl]-7-[[2-(2-furanyl)-2-(methoxyimino)acetyl]amino]-8-oxo-, (6R,7R)-
55268-75-2 Active CAS-RN
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(aminocarbonyl)oxy]methyl]-7-[[(2Z)-2-furanyl(methoxyimino)acetyl]amino]-8-oxo-, (6R,7R)-
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(aminocarbonyl)oxy]methyl]-7-[[(2Z)-2-(2-furanyl)-2-(methoxyimino)acetyl]amino]-8-oxo-, (6R,7R)-
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(aminocarbonyl)oxy]methyl]-7-[[2-furanyl(methoxyimino)acetyl]amino]-8-oxo-, [6R-[6α,7β(Z)]]-
Biofuroksym
Cefaloxime
Cefasyn
Cefuroxim
Cefuroxime acid
cefuroximo
Cephuroxime
Ketocef
BRN 5783190
EINECS 259-560-1
Cefuril
Zinacef Danmark
Cefuroximum
UNII-O1R9FJ93ED FDA Registry Number
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National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Download as:

1767th highest exposure

Exposure Predictions (mg/kg-bw/day)

Median

95th Percentile

Ages 6-11

4.46e-07

3.22e-05

Ages 12-19

3.56e-07

2.30e-05

Ages 20-65

2.72e-07

2.34e-05

Ages 65+

2.49e-07

2.27e-05

BMI > 30

3.05e-07

1.38e-05

BMI < 30

3.50e-07

1.77e-05

Repro. Age Females

3.00e-07

2.36e-05

Females

3.06e-07

1.89e-05

Males

2.41e-07

2.21e-05

Total

3.31e-07

2.51e-05

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Executive Summary

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