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Bisdesethylchloroquine

Bisdesethylchloroquine structure

CAS No:
4298-14-0
Formula:
C14H18ClN3
Chemical Name:
Bisdesethylchloroquine
Synonyms:
1,4-Pentanediamine,N4-(7-chloro-4-quinolinyl)-;Quinoline,4-[(4-amino-1-methylbutyl)amino]-7-chloro-;N4-(7-Chloro-4-quinolinyl)-1,4-pentanediamine;Bisdeethylchloroquine;N,N-Dideethylchloroquine;SN 13617;Chloroquine,dideethyl-;Bisdesethylchloroquine;1,4-Pentanediamine N4-(7-chloro-4-quinolinyl)-;137360-12-4
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Brown Solid

Bisdesethylchloroquine Basic Attributes

Molecular Weight：

263.77

Exact Mass：

263.77

HScode：

2933499090

Characteristics

PSA：

50.9

XLogP3：

2.9

Density：

1.208±0.06 g/cm3(Predicted)

Melting Point：

139-141°C

Boiling Point：

441.4ºC at 760 mmHg

Flash Point：

220.8ºC

Refractive Index：

1.64

Storage Conditions：

-20°C Freezer

Drug Information

Metabolism/Metabolites：

N,N-didesethylchloroquinone is a known human metabolite of Monodesethylchloroquine.

MeSH Entry Terms：

bi(deethyl)chloroquine

Bisdesethylchloroquine Use and Manufacturing

A metabolite of Chloroquine

Computed Properties

Molecular Weight:263.76
XLogP3:2.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:263.1189253
Monoisotopic Mass:263.1189253
Topological Polar Surface Area:50.9
Heavy Atom Count:18
Complexity:249
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes