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Colchicine
64-86-8 | DTXSID5024845

Searched by DSSTox_Substance_Id: Found 1 result for 'DTXSID5024845'.

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Intrinsic Properties

Molecular Formula: C22H25NO6

Average Mass: 399.443 g/mol

Monoisotopic Mass: 399.168188 g/mol

Structural Identifiers

IUPAC Name: N-[(7S)-1,2,3,10-Tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide

SMILES: COC1=CC2=C(C(OC)=C1OC)C1=CC=C(OC)C(=O)C=C1[C@H](CC2)NC(C)=O

InChI String: InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1

InChIKey: IAKHMKGGTNLKSZ-INIZCTEOSA-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/DTXSID5024845 (accessed June 23, 2018), Colchicine

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

1.30 (1)

1.22 (5)

-

1.10

1.30

0.92 to 1.86

-

Water Solubility

1.13e-01 (1)

1.49e-02 (4)

-

7.72e-04

1.13e-01

5.25e-04 to 5.73e-02

mol/L

Density

-

1.25 (2)

-

1.25

-

1.24 to 1.26

g/cm^3

Flash Point

-

335 (2)

-

335

-

278 to 393

°C

Melting Point

150 (8)

187 (4)

150

171

142 to 156

164 to 242

°C

Boiling Point

-

508 (5)

-

529

-

302 to 726

°C

Surface Tension

-

40.5 (2)

-

40.5

-

30.5 to 50.5

dyn/cm

Thermal Conductivity

-

217 (1)

- - - -

mW/(m*K)

Vapor Pressure

-

1.79e-09 (4)

-

3.51e-10

-

0.0 to 6.48e-09

mmHg

Viscosity

-

1.02 (1)

- - - -

cP

LogKoa: Octanol-Air

-

10.3 (1)

- - - - -

Henry's Law

-

8.99e-12 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.59 (1)

- - - - -

Molar Refractivity

-

107 (1)

- - - -

cm^3

Molar Volume

-

318 (1)

- - - -

cm^3

Polarizability

-

42.3 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental

1.30 (1)

-

1.30

Predicted

1.22 (5)

1.10

0.92 to 1.86

Experimental

Source

Result

PhysPropNCCT

1.30

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

1.86

Not Available

Not Available

NICEATM

9.52e-01

Not Available

Available

ACD/Labs Consensus

1.10

Not Available

Not Available

ACD/Labs

0.92

Not Available

Not Available

OPERA

1.25

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental

1.13e-01 (1)

-

1.13e-01

Predicted

1.49e-02 (4)

7.72e-04

5.25e-04 to 5.73e-02

Experimental

Source

Result

PhysPropNCCT

1.13e-01 mol/L

Predicted

Source

Result

Calculation Details

QMRF

TEST

5.25e-04 mol/L

Not Available

Not Available

EPISUITE

6.00e-04 mol/L

Not Available

Not Available

NICEATM

9.44e-04 mol/L

Not Available

Available

OPERA

5.73e-02 mol/L

OPERA Model Report

Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.25 (2)

1.25

1.24 to 1.26

Predicted

Source

Result

Calculation Details

QMRF

TEST

1.24 g/cm^3

TEST Report

Not Available

ACD/Labs

1.26 g/cm^3

Not Available

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

335 (2)

335

278 to 393

Predicted

Source

Result

Calculation Details

QMRF

TEST

278 °C

Not Available

Not Available

ACD/Labs

393 °C

Not Available

Not Available

Melting Point

Average

Median

Range

Experimental

150 (8)

150

142 to 156

Predicted

187 (4)

171

164 to 242

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

508 (5)

529

302 to 726

Predicted

Source

Result

Calculation Details

QMRF

TEST

529 °C

TEST Report

Not Available

EPISUITE

562 °C

Not Available

Not Available

NICEATM

302 °C

Not Available

Available

ACD/Labs

726 °C

Not Available

Not Available

OPERA

419 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

40.5 (2)

40.5

30.5 to 50.5

Predicted

Source

Result

Calculation Details

QMRF

TEST

30.5 dyn/cm

Not Available

Not Available

ACD/Labs

50.5 dyn/cm

Not Available

Not Available

Thermal Conductivity

Average

Median

Range

Experimental - - -
Predicted

217 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

217 mW/(m*K)

Not Available

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

1.79e-09 (4)

3.51e-10

0.0 to 6.48e-09

Predicted

Source

Result

Calculation Details

QMRF

TEST

5.50e-10 mmHg

Not Available

Not Available

NICEATM

6.48e-09 mmHg

Not Available

Available

ACD/Labs

0.0 mmHg

Not Available

Not Available

OPERA

1.52e-10 mmHg

OPERA Model Report

Available

Viscosity

Average

Median

Range

Experimental - - -
Predicted

1.02 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

1.02 cP

Not Available

Not Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

10.3 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

10.3

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

8.99e-12 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

8.99e-12 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.59 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.59

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

107 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

107 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

318 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

318 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

42.3 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

42.3 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

374 (2)

-

374

-

140 to 609

L/kg

Atmos. Hydroxylation Rate

-

7.46e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

11.5 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

1.26 (1)

- - - -

days

Bioaccumulation Factor

-

5.91 (1)

- - - - -

Bioconcentration Factor

-

5.28 (5)

-

5.91

-

6.79e-01 to 8.84

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

374 (2)

374

140 to 609

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

140 L/kg

Not Available

Not Available

OPERA

609 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

7.46e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

7.46e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

11.5 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

11.5 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

1.26 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.26 days

OPERA Model Report

Available

Bioaccumulation Factor

Average

Median

Range

Experimental - - -
Predicted

5.91 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

5.91

Not Available

Not Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

5.28 (5)

5.91

6.79e-01 to 8.84

Predicted

Source

Result

Calculation Details

QMRF

TEST

3.18

Not Available

Not Available

EPISUITE

5.91

Not Available

Not Available

EPISUITE

7.78

Not Available

Not Available

NICEATM

6.79e-01

Not Available

Available

OPERA

8.84

OPERA Model Report

Available

Found 31 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Colchicine
N-[(7S)-1,2,3,10-Tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
Acetamide, N-[(7S)-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl]-
64-86-8 Active CAS-RN
Acetamide, N-[(7S)-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl]-
(-)-Colchicine
(S)-N-(5,6,7,9-Tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)acetamide
Acetamide, N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)-, (S)-
Colchicin
colchicina
COLCHICINE FU
Colchineos
Colchisol
Colsaloid
Condylon
NSC 757
N-Acetyl trimethylcolchicinic acid methylether
Benzo(a)heptalen-9(5H)-one, 7-acetamido-6,7-dihydro-1,2,3,10-tetramethoxy-
7-alpha-H-Colchicine
EINECS 200-598-5
N-(5,6,7,9-Tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)acetamide
Kolkicin
Colchysat
Goutnil
UNII-SML2Y3J35T FDA Registry Number
Colcrys
7alphaH-colchicine
colchicinum
(S)-colchicine
30512-31-3 Deleted CAS-RN
5843-86-7 Deleted CAS-RN
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National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Download as:

565th highest exposure

Exposure Predictions (mg/kg-bw/day)

Median

95th Percentile

Ages 6-11

1.77e-06

2.56e-04

Ages 12-19

2.45e-06

2.40e-04

Ages 20-65

2.46e-06

2.37e-04

Ages 65+

2.72e-06

1.84e-04

BMI > 30

2.08e-06

1.61e-04

BMI < 30

2.45e-06

1.82e-04

Repro. Age Females

4.08e-06

2.91e-04

Females

3.58e-06

2.78e-04

Males

1.53e-06

1.07e-04

Total

2.30e-06

2.21e-04

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