Quinacrine dihydrochloride dihydrate

Base Information

• Chemical Name: Quinacrine dihydrochloride dihydrate
• CAS No.: 6151-30-0
• Molecular Formula: C23 H30 Cl N3 O . 2 Cl H . 2 H2 O
• Molecular Weight: 508.916
• European Community (EC) Number: 200-700-8
• UNII: G6242H2NAA
• DSSTox Substance ID: DTXSID8045565
• Wikidata: Q27278821
• NCI Thesaurus Code: C67059
• ChEMBL ID: CHEMBL2105615
• Mol file: 6151-30-0.mol

Synonyms:Acrichine;Atabrine;Atebrin;Dihydrochloride, Quinacrine;Dimesylate, Quinacrine;Hydrochloride, Quinacrine;Mepacrine;Monoacetate, Quinacrine;Monohydrochloride, Quinacrine;Monomesylate, Quinacrine;Quinacrine;Quinacrine Dihydrochloride;Quinacrine Dihydrochloride, Dihydrate;Quinacrine Dihyrochloride, (R)-Isomer;Quinacrine Dihyrochloride, (S)-Isomer;Quinacrine Dimesylate;Quinacrine Hydrochloride;Quinacrine Monoacetate;Quinacrine Monohydrochloride;Quinacrine Monomesylate;Quinacrine, (+-)-Isomer;Quinacrine, (R)-Isomer;Quinacrine, (S)-Isomer

Chemical Property of Quinacrine dihydrochloride dihydrate

Chemical Property:

• Appearance/Colour: bright yellow powder
• Melting Point: 247 °C
• Boiling Point: 557.1 °C at 760 mmHg
• Flash Point: 290.7 °C
• PSA: 55.85000
• LogP: 7.52080
• Water Solubility.: 2.8 g/100 mL
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 507.182225
• Heavy Atom Count: 32
• Complexity: 461

Purity/Quality:

98% ^*data from raw suppliers

Quinacrine Dihydrochloride Dihydrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC.O.O.Cl.Cl
• Uses: Quinacrine Dihydrochloride Dihydrate is a phophoslipase A2 inhibitor.

Technology Process of Quinacrine dihydrochloride dihydrate

There total 2 articles about Quinacrine dihydrochloride dihydrate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 57.0%

→ methyl 3-amino-4-benzyl-1H-pyrrole-2-carboxylate (146385-89-9) + quinacrine dihydrochloride dihydrate (6151-30-0)

Guidance literature:

Reference yield: 56.0%

→ methyl 3-amino-4-(cyclohexylmethyl)-1H-pyrrole-2-carboxylate (135197-47-6) + quinacrine dihydrochloride dihydrate (6151-30-0)

Guidance literature:

Refernces