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Sulpiride
15676-16-1 | DTXSID1042574

Searched by Approved Name: Found 1 result for '(RS)-(+/-)-sulpiride'.

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Intrinsic Properties

Molecular Formula: C15H23N3O4S

Average Mass: 341.43 g/mol

Monoisotopic Mass: 341.140927 g/mol

Structural Identifiers

IUPAC Name: N-[(1-Ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide

SMILES: CCN1CCCC1CNC(=O)C1=C(OC)C=CC(=C1)S(N)(=O)=O

InChI String: InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)

InChIKey: BGRJTUBHPOOWDU-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/DTXSID1042574 (accessed April 24, 2018), Sulpiride

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

0.57 (1)

6.86e-01 (5)

-

0.65

0.57

4.53e-01 to 8.53e-01

-

Water Solubility

-

6.41e-03 (4)

-

3.71e-03

-

2.68e-04 to 1.80e-02

mol/L

Density

-

1.28 (2)

-

1.28

-

1.24 to 1.33

g/cm^3

Flash Point

-

293 (1)

- - - -

°C

Melting Point

179 (2)

198 (4)

179

194

178 to 179

179 to 227

°C

Boiling Point

-

369 (3)

-

303

-

274 to 530

°C

Surface Tension

-

45.9 (1)

- - - -

dyn/cm

Vapor Pressure

-

9.81e-10 (3)

-

1.49e-10

-

9.60e-11 to 2.70e-09

mmHg

LogKoa: Octanol-Air

-

9.32 (1)

- - - - -

Henry's Law

-

1.61e-11 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.55 (1)

- - - - -

Molar Refractivity

-

88.2 (1)

- - - -

cm^3

Molar Volume

-

276 (1)

- - - -

cm^3

Polarizability

-

35.0 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental

0.57 (1)

-

0.57

Predicted

6.86e-01 (5)

0.65

4.53e-01 to 8.53e-01

Experimental

Source

Result

PhysPropNCCT

0.57

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

0.65

Not Available

Not Available

NICEATM

6.27e-01

Not Available

Available

ACD/Labs Consensus

8.53e-01

Not Available

Not Available

ACD/Labs

4.53e-01

Not Available

Not Available

OPERA

8.48e-01

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

6.41e-03 (4)

3.71e-03

2.68e-04 to 1.80e-02

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

6.66e-03 mol/L

Not Available

Not Available

NICEATM

1.80e-02 mol/L

Not Available

Available

OPERA

2.68e-04 mol/L

OPERA Model Report

Available

TEST

7.50e-04 mol/L

TEST Report

Not Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.28 (2)

1.28

1.24 to 1.33

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.24 g/cm^3

Not Available

Not Available

TEST

1.33 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

293 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

293 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental

179 (2)

179

178 to 179

Predicted

198 (4)

194

179 to 227

Experimental

Source

Result

Jean-Claude Bradley Open Melting Point Dataset

179 °C

Jean-Claude Bradley Open Melting Point Dataset

178 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

227 °C

Not Available

Not Available

NICEATM

179 °C

Not Available

Available

OPERA

200 °C

OPERA Model Report

Available

TEST

187 °C

TEST Report

Not Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

369 (3)

303

274 to 530

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

530 °C

Not Available

Not Available

NICEATM

303 °C

Not Available

Available

OPERA

274 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

45.9 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

45.9 dyn/cm

Not Available

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

9.81e-10 (3)

1.49e-10

9.60e-11 to 2.70e-09

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

1.49e-10 mmHg

Not Available

Available

OPERA

9.60e-11 mmHg

OPERA Model Report

Available

TEST

2.70e-09 mmHg

TEST Report

Not Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

9.32 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

9.32

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

1.61e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.61e-11 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.55 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.55

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

88.2 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

88.2 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

276 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

276 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

35.0 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

35.0 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

1120 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

1.39e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

3.36 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

1.61e-01 (1)

- - - -

days

Bioconcentration Factor

-

1.44 (3)

-

1.39

-

1.00 to 1.92

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

1120 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1120 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

1.39e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.39e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

3.36 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.36 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

1.61e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.61e-01 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

1.44 (3)

1.39

1.00 to 1.92

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

1.92

Not Available

Available

TEST

1.39

TEST Report

Not Available

OPERA

1.00

OPERA Model Report

Available

Found 71 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Sulpiride
N-[(1-Ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide
Benzamide, 5-(aminosulfonyl)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxy-
15676-16-1 Active CAS-RN
5-22-08-00105 Beilstein Registry Number
Benzamide, 5-(aminosulfonyl)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxy-
(.+-.)-Sulpiride
5-(Aminosulfonyl)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxybenzamide
Aiglonyl
Coolspan
DL-Sulpiride
Dogmatil
Dogmatyl
Dolmatil
Eglonyl
Guastil
Miradol
Mirbanil
Misulvan
N-(1-Ethyl-2-pyrrolidinylmethyl)-2-methoxy-5-sulfamidobenzamide
N-(1-Ethylpyrrolidin-2-ylmethyl)-2-methoxy-5-sulfamoylbenzamide
N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxy-5-sulfamoylbenzamide
N-[(1-Ethyl-2-pyrrolidinyl)methyl]-5-sulfamoyl-o-anisamide
Neogama
o-Anisamide, N-[(1-ethyl-2-pyrrolidinyl)methyl]-5-sulfamoyl-
Omperan
Pyrikappl
Sernevin
Splotin
Sulpirid
sulpirida
Sulpiride
Sulpitil
Sulpyrid
Sursumid
Synedil
BRN 0494008
Eglonil
EINECS 239-753-7
N-((1-Ethyl-2-pyrrolidinyl)methyl)-5-sulfamoyl-o-anisamide
Pyrkappl
Alimoral
Calmoflorine
Championyl
Dresent
Desmenat
Darleton
Equilid
Eusulpid
Fardalan
Fidelan
Isnamide
Kylistro
Lisopiride
Mariastel
Norestran
Nufarol
Ozoderpin
Psicocen
Restful
Suprium
Valirem
Zemorcon
Stamonevrol
Sulpiridum
Magnetic resonance imaging sulpiride
UNII-7MNE9M8287 FDA Registry Number
(+-)-sulpiride
5-(Aminosulfonyl)-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxybenzamide
N-((1-Ethyl-2-pyrrolidinyl)methyl)-2-methoxy-5-sulfamoylbenzamide
N-((1-Ethyl-2-pyrrolidinyl)methyl)-5-sulfamoyl-o-anisamide
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National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Download as:

3556th highest exposure

Exposure Predictions (mg/kg-bw/day)

Median

95th Percentile

Ages 6-11

3.50e-07

3.66e-05

Ages 12-19

2.25e-07

1.67e-05

Ages 20-65

2.15e-07

1.87e-05

Ages 65+

1.79e-07

1.53e-05

BMI > 30

1.99e-07

1.35e-05

BMI < 30

2.92e-07

1.40e-05

Repro. Age Females

2.07e-07

1.67e-05

Females

2.14e-07

1.60e-05

Males

2.27e-07

1.25e-05

Total

1.96e-07

1.34e-05

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Executive Summary

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