Success!

Failed to copy.

Hydrocodone
125-29-1 | DTXSID8023131

Searched by CAS-RN: Found 1 result for '125-29-1'.

Image not found
Wikipedia
Imgnotfound
Intrinsic Properties

Molecular Formula: C18H21NO3

Average Mass: 299.37 g/mol

Monoisotopic Mass: 299.152144 g/mol

Structural Identifiers

IUPAC Name: (5alpha)-3-Methoxy-17-methyl-4,5-epoxymorphinan-6-one

SMILES: [H][C@@]12OC3=C4C(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])CCC2=O)=CC=C3OC

InChI String: InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-12,17H,4-5,7-9H2,1-2H3/t11-,12+,17-,18-/m0/s1

InChIKey: LLPOLZWFYMWNKH-CMKMFDCUSA-N

Search Google for:

Structural Skeleton Full Structure

Imgnotfound

Citation

U.S. Environmental Protection Agency. Chemistry Dashboard. https://comptox.epa.gov/dashboard/DTXSID8023131 (accessed April 22, 2018), Hydrocodone

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

-

1.42 (5)

-

1.32

-

7.75e-01 to 2.16

-

Water Solubility

-

2.29e-03 (4)

-

1.54e-03

-

1.06e-04 to 5.97e-03

mol/L

Density

-

1.30 (2)

-

1.30

-

1.29 to 1.31

g/cm^3

Flash Point

-

214 (2)

-

214

-

196 to 233

°C

Melting Point

198 (1)

172 (4)

-

175

198

134 to 202

°C

Boiling Point

-

386 (5)

-

401

-

304 to 461

°C

Surface Tension

-

55.7 (1)

- - - -

dyn/cm

Vapor Pressure

-

7.18e-09 (4)

-

7.95e-09

-

2.14e-09 to 1.07e-08

mmHg

LogKoa: Octanol-Air

-

9.82 (1)

- - - - -

Henry's Law

-

6.73e-09 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.63 (1)

- - - - -

Molar Refractivity

-

81.6 (1)

- - - -

cm^3

Molar Volume

-

228 (1)

- - - -

cm^3

Polarizability

-

32.3 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

1.42 (5)

1.32

7.75e-01 to 2.16

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

2.16

Not Available

Not Available

NICEATM

1.03

Not Available

Available

ACD/Labs Consensus

1.32

Not Available

Not Available

ACD/Labs

1.83

Not Available

Not Available

OPERA

7.75e-01

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

2.29e-03 (4)

1.54e-03

1.06e-04 to 5.97e-03

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

5.97e-03 mol/L

Not Available

Not Available

NICEATM

1.06e-04 mol/L

Not Available

Available

OPERA

1.62e-04 mol/L

OPERA Model Report

Available

TEST

2.92e-03 mol/L

TEST Report

Not Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.30 (2)

1.30

1.29 to 1.31

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.31 g/cm^3

Not Available

Not Available

TEST

1.29 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

214 (2)

214

196 to 233

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

233 °C

Not Available

Not Available

TEST

196 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental

198 (1)

-

198

Predicted

172 (4)

175

134 to 202

Experimental

Source

Result

Jean-Claude Bradley Open Melting Point Dataset

198 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

166 °C

Not Available

Not Available

NICEATM

202 °C

Not Available

Available

TEST

184 °C

TEST Report

Not Available

OPERA

134 °C

OPERA Model Report

Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

386 (5)

401

304 to 461

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

401 °C

Not Available

Not Available

NICEATM

304 °C

Not Available

Available

ACD/Labs

461 °C

Not Available

Not Available

TEST

420 °C

TEST Report

Not Available

OPERA

343 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

55.7 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

55.7 dyn/cm

Not Available

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

7.18e-09 (4)

7.95e-09

2.14e-09 to 1.07e-08

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

8.34e-09 mmHg

Not Available

Available

ACD/Labs

1.07e-08 mmHg

Not Available

Not Available

TEST

7.55e-09 mmHg

TEST Report

Not Available

OPERA

2.14e-09 mmHg

OPERA Model Report

Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

9.82 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

9.82

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

6.73e-09 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

6.73e-09 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.63 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.63

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

81.6 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

81.6 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

228 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

228 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

32.3 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

32.3 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

89000 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

2.57e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

16.6 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

1.86 (1)

- - - -

days

Bioconcentration Factor

-

38.2 (3)

-

17.5

-

2.11 to 95.1

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

89000 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

89000 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

2.57e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.57e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

16.6 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

16.6 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

1.86 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.86 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

38.2 (3)

17.5

2.11 to 95.1

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

2.11

Not Available

Available

TEST

95.1

TEST Report

Not Available

OPERA

17.5

OPERA Model Report

Available

Found 32 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Hydrocodone
(5alpha)-3-Methoxy-17-methyl-4,5-epoxymorphinan-6-one
Morphinan-6-one, 4,5-epoxy-3-methoxy-17-methyl-, (5alpha)-
125-29-1 Active CAS-RN
4-27-00-03580 Beilstein Registry Number
Morphinan-6-one, 4,5-epoxy-3-methoxy-17-methyl-, (5α)-
(-)-Dihydrocodeinone
6-Oxo-7,8-dihydrocodeine
Bekadid
Codeinone, dihydro-
Dicodid
Dihydrocodeinone
hidrocodona
Hydrocodon
Morphinan-6-one, 4,5α-epoxy-3-methoxy-17-methyl-
Multacodin
NSC 19044
BRN 0094193
Codinovo
EINECS 204-733-9
4,5alpha-Epoxy-3-methoxy-17-methylmorphinan-6-one
6-Oxo-3-methoxy-N-methyl-4,5-epoxymorphinan
Hydrocodonum
UNII-6YKS4Y3WQ7 FDA Registry Number
4,5-alpha-Epoxy-3-methoxy-17-methylmorphinan-6-one
Hydrocone
Hydroconum
Idrocodone
1037-91-8 Deleted CAS-RN
9007-52-7 Deleted CAS-RN
50678-79-0 Deleted CAS-RN
1469752-80-4 Deleted CAS-RN
Imgnotfound
Imgnotfound
Imgnotfound
Imgnotfound

National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Exposure Predictions

There is no exposure data available.

Imgnotfound

PubChem Articles

Select Term:

AND

AND

Edit the Query Before Querying ()

You have hit the max of 255 characters for this query.

PubChem Patents

Loading Image

Searched with a similarity threshold of 0.8

Executive Summary

Imgnotfound