Basic information
- CAS
1476-52-4- Standard SMILES
CCNCCCC(C)Nc1ccnc2cc(Cl)ccc12- InChIKey
MCYUUUTUAAGOOT-UHFFFAOYSA-N- Molecular formula
- C16H22ClN3
- Average molar mass
- 291.82 g/mol
- Monoisotopic mass
- 291.1502254
Overview
Desethylchloroquine is an aminoquinoline.
Names & identifiers
- Preferred name
- (+-)-Desethylchloroquine
- IUPAC
- 4-N-(7-chloroquinolin-4-yl)-1-N-ethylpentane-1,4-diamine
- English name
- Desethyl chloroquine
- Molecular formula
- C16H22ClN3
- Molecular weight
- 291.82
Names & synonyms
Desethylchloroquine1476-52-4DeethylchloroquineMonodesethylchloroquineN-deethylchloroquine1,4-Pentanediamine, N4-(7-chloro-4-quinolinyl)-N1-ethyl-ZC9Z9XX2PDDTXSID201033929(4-((7-chloroquinolin-4-yl)amino)pentyl)(ethyl)amine{4-[(7-chloroquinolin-4-yl)amino]pentyl}(ethyl)amineRefChem:831600(+-)-Desethylchloroquine
Show more names
Chloroquine Related CoMpound DWR 29623Chloroquine USP RC DMonodeethylchloroquineDesethyl Chloroquine sulfateHydroxy Chloroquine Impurity-D
DTXCID108889177-chloro-4-((4-(ethylamino)-1-methylbutyl)amino)-quinolineDESETHYL CHLOROQUINEN4-(7-Chloro-4-quinolinyl)-N1-ethyl-1,4-pentanediaminen4-(7-chloroquinolin-4-yl)-n1-ethylpentane-1,4-diamine4-N-(7-chloroquinolin-4-yl)-1-N-ethylpentane-1,4-diamineChloroquine M (des-ethyl)NSC 13254
Database identifiers
- CAS
1476-52-4
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 37 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 274
Experimental & physicochemical properties
DrugsPharmaceuticals -> Metabolite of Hydroxychloroquine
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 94 · 94-97C
- Boiling point
- 173 · 173-175 °C(Press: 0.05 Torr)
- Density
- 1.138 · 1.138±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform (Slightly), Dichloromethane (Slightly), Ethyl Acetate (Slightly), Met
- form
- Solid
- pka
- 10.62 · 10.62±0.19(Predicted)
- color
- Pale Yellow to Dark Yellow
- biological source
- synthetic
- InChI
- 1S/C16H22ClN3/c1-3-18-9-4-5-12(2)20-15-8-10-19-16-11-13(17)6-7-14(15)16/h6-8,10-12,18H,3-5,9H2,1-2H3,(H,19,20)
- InChIKey
- MCYUUUTUAAGOOT-UHFFFAOYSA-N
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- hs_code
- 2933497050
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312-P501
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
UsesDesethyl Chloroquine is the major product of the stereoselective human metabolism of Chloroquine, used for the therapy and prevention of malaria. It is a COVID19-related research product.
Suppliers86 total
南京波普生物医药研发有限公司025-87138562 18951783565 · [email protected]
天津始加生物医药科技有限公司15022261580 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
武汉卓元易创科技有限公司13476791851 13476791851 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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