Success!

Failed to copy.

Chloroquine bis(phosphate)
50-63-5 | DTXSID7044681

Searched by CAS-RN: Found 1 result for '50-63-5'.

Image not found
Intrinsic Properties

Molecular Formula: C18H32ClN3O8P2

Average Mass: 515.86 g/mol

Monoisotopic Mass: 515.135317 g/mol

Structural Identifiers

IUPAC Name: Phosphoric acid--N4-(7-chloroquinolin-4-yl)-N1,N1-diethylpentane-1,4-diamine (2/1)

SMILES: OP(O)(O)=O.OP(O)(O)=O.CCN(CC)CCCC(C)NC1=C2C=CC(Cl)=CC2=NC=C1

InChI String: InChI=1S/C18H26ClN3.2H3O4P/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18;2*1-5(2,3)4/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);2*(H3,1,2,3,4)

InChIKey: QKICWELGRMTQCR-UHFFFAOYSA-N

Search Google for:

Structural Skeleton Full Structure

Imgnotfound

Citation

U.S. Environmental Protection Agency. Chemistry Dashboard. https://comptox.epa.gov/dashboard/DTXSID7044681 (accessed April 22, 2018), Chloroquine bis(phosphate)

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

Melting Point

197 (2)

-

197

- - -

°C

Melting Point

Average

Median

Range

Experimental

197 (2)

197

-
Predicted - - -
Experimental

Source

Result

LKT Labs

193 °C

MolMall

200 °C

No Environmental Fate/Transport Properties Found.

Found 32 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Chloroquine bis(phosphate)
Phosphoric acid--N4-(7-chloroquinolin-4-yl)-N1,N1-diethylpentane-1,4-diamine (2/1)
1,4-Pentanediamine, N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl-, phosphate (1:2)
50-63-5 Active CAS-RN
Chloroquine diphosphate (Chloroquine bis(phosphate))
Alermine
Aralen diphosphate
Aralen phosphate
Arechin
Avloclor
Bemaphate
Chingamin phosphate
Chingaminum
Chloroquin diphosphate
Delagil
EINECS 200-055-2
Gontochin phosphate
Miniquine
Nivaquine B
NSC 14050
Quingamine
Resochin
Resoquine
Sanoquin
H-Stadur
Tanakene
dl-Chloroquine diphosphate
Chloroquine dihydrogen phosphate (1:2)
Chlorochin diphosphate
Chingamin
7-Chlor-4-(4-(diaethylamino)-1-methylbutylamino)-chinolindiphosphat
UNII-6E17K3343P FDA Registry Number
Imgnotfound
Imgnotfound
Imgnotfound
Imgnotfound

National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Download as:

6718th highest exposure

Exposure Predictions (mg/kg-bw/day)

Median

95th Percentile

Ages 6-11

5.92e-08

1.08e-05

Ages 12-19

8.05e-08

8.16e-06

Ages 20-65

6.28e-08

8.75e-06

Ages 65+

5.61e-08

5.54e-06

BMI > 30

4.32e-08

5.44e-06

BMI < 30

6.79e-08

9.85e-06

Repro. Age Females

9.17e-08

7.46e-06

Females

6.71e-08

8.49e-06

Males

4.05e-08

5.12e-06

Total

5.77e-08

6.18e-06

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