MedKoo Cat#: 556039 | Name: N-desethyl Amodiaquine HCl
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

N-desethyl Amodiaquine is a primary metabolite of the antimalarial compound aminodiaquine, produced by the action of cytochrome P450 isoform 2C8. N-desethyl Amodiaquine is highly active against P. falciparum and can synergize with amodiaquine.

Chemical Structure

N-desethyl Amodiaquine HCl
N-desethyl Amodiaquine HCl
CAS#79049-30-2 (HCl)

Theoretical Analysis

MedKoo Cat#: 556039

Name: N-desethyl Amodiaquine HCl

CAS#: 79049-30-2 (HCl)

Chemical Formula: C18H20Cl3N3O

Exact Mass: 0.0000

Molecular Weight: 400.73

Elemental Analysis: C, 53.95; H, 5.03; Cl, 26.54; N, 10.49; O, 3.99

Price and Availability

Size Price Availability Quantity
100mg USD 550.00 2 Weeks
200mg USD 950.00 2 Weeks
500mg USD 1,650.00 2 Weeks
1g USD 2,850.00 2 Weeks
2g USD 4,950.00 2 Weeks
5g USD 7,950.00 2 Weeks
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Related CAS #
79049-30-2 (HCl) 79352-78-6 (free base)
Synonym
N-desethyl Amodiaquine HCl; N-desethyl Amodiaquine;
IUPAC/Chemical Name
Phenol, 4-[(7-chloro-4-quinolinyl)amino]-2-[(ethylamino)methyl]-, dihydrochloride (9CI)
InChi Key
BCYBRFGUODDEGH-UHFFFAOYSA-N
InChi Code
InChI=1S/C18H18ClN3O.2ClH/c1-2-20-11-12-9-14(4-6-18(12)23)22-16-7-8-21-17-10-13(19)3-5-15(16)17;;/h3-10,20,23H,2,11H2,1H3,(H,21,22);2*1H
SMILES Code
OC1=CC=C(NC2=CC=NC3=CC(Cl)=CC=C23)C=C1CNCC.[H]Cl.[H]Cl
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 400.73 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
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PMID: 33588856; PMCID: PMC7885591. 4: Sottas O, Guidi M, Thieffry B, Schneider M, Décosterd L, Mueller I, Genton B, Csajka C, Senn N. Adherence to intermittent preventive treatment for malaria in Papua New Guinean infants: A pharmacological study alongside the randomized controlled trial. PLoS One. 2019 Feb 6;14(2):e0210789. doi: 10.1371/journal.pone.0210789. PMID: 30726224; PMCID: PMC6364960. 5: Gallay J, Prod'hom S, Mercier T, Bardinet C, Spaggiari D, Pothin E, Buclin T, Genton B, Decosterd LA. LC-MS/MS method for the simultaneous analysis of seven antimalarials and two active metabolites in dried blood spots for applications in field trials: Analytical and clinical validation. J Pharm Biomed Anal. 2018 May 30;154:263-277. doi: 10.1016/j.jpba.2018.01.017. Epub 2018 Feb 3. Erratum in: J Pharm Biomed Anal. 2020 Apr 15;182:112759. PMID: 29579633. 6: Warhurst DC, Craig JC, Raheem KS. 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PMID: 20736008. 9: Sasi P, Abdulrahaman A, Mwai L, Muriithi S, Straimer J, Schieck E, Rippert A, Bashraheil M, Salim A, Peshu J, Awuondo K, Lowe B, Pirmohamed M, Winstanley P, Ward S, Nzila A, Borrmann S. In vivo and in vitro efficacy of amodiaquine against Plasmodium falciparum in an area of continued use of 4-aminoquinolines in East Africa. J Infect Dis. 2009 Jun 1;199(11):1575-82. doi: 10.1086/598862. PMID: 19405863. 10: Hodel EM, Zanolari B, Mercier T, Biollaz J, Keiser J, Olliaro P, Genton B, Decosterd LA. A single LC-tandem mass spectrometry method for the simultaneous determination of 14 antimalarial drugs and their metabolites in human plasma. J Chromatogr B Analyt Technol Biomed Life Sci. 2009 Apr 1;877(10):867-86. doi: 10.1016/j.jchromb.2009.02.006. Epub 2009 Feb 11. PMID: 19249251. 11: Sarrassat S, Sakho M, Le Hesran JY. Biological measure of compliance to Artesunate plus Amodiaquine association: interest in a Mono-Desethyl-Amodiaquine blood assay? Acta Trop. 2009 Apr;110(1):1-6. doi: 10.1016/j.actatropica.2008.11.001. Epub 2008 Nov 14. PMID: 19056331. 12: Davis CB, Bambal R, Moorthy GS, Hugger E, Xiang H, Park BK, Shone AE, O'Neill PM, Ward SA. Comparative preclinical drug metabolism and pharmacokinetic evaluation of novel 4-aminoquinoline anti-malarials. J Pharm Sci. 2009 Jan;98(1):362-77. doi: 10.1002/jps.21469. PMID: 18563832. 13: Brasseur P. Tolérance de l'amodiaquine [Tolerance of amodiaquine]. Med Trop (Mars). 2007 Jun;67(3):288-90. French. PMID: 17784684. 14: Wennerholm A, Nordmark A, Pihlsgård M, Mahindi M, Bertilsson L, Gustafsson LL. Amodiaquine, its desethylated metabolite, or both, inhibit the metabolism of debrisoquine (CYP2D6) and losartan (CYP2C9) in vivo. Eur J Clin Pharmacol. 2006 Jul;62(7):539-46. doi: 10.1007/s00228-006-0121-3. Epub 2006 Jun 17. PMID: 16783563. 15: Dua VK, Gupta NC, Sharma VP, Subbarao SK. Liquid chromatographic determination of amodiaquine in human plasma. 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