3,6-diamino-10-methylacridin-10-ium acridine-3,6-diamine chloride hydrochloride

• ChemBase ID: 105517
• Molecular Formular: C27H26Cl2N6
• Molecular Mass: 505.44154
• Monoisotopic Mass: 504.15960022
• SMILES: Cl.[Cl-].C[n+]1c2cc(N)ccc2cc2ccc(N)cc12.Nc1ccc2cc3ccc(N)cc3nc2c1
• Canonical SMILES: Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N.Nc1ccc2c(c1)nc1c(c2)ccc(c1)N.Cl.[Cl-]
• InChI: InChI=1S/C14H13N3.C13H11N3.2ClH/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17;14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10;;/h2-8H,1H3,(H3,15,16);1-7H,14-15H2;2*1H
• InChIKey: QEUYATCJHJUQML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6-diamino-10-methylacridin-10-ium acridine-3,6-diamine chloride hydrochloride
• IUPAC Traditional name: 3,6-diamino-10-methylacridin-10-ium proflavine chloride hydrochloride
• Synonyms: Euflavin; ACRIFLAVINE HYDROCHLORIDE

Database IDs

• CAS Number: 8063-24-9
• PubChem SID: 162093655
• PubChem CID: 390892

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.8081982
• LogD (pH = 7.4): -2.807895
• Log P: -2.8078911
• Molar Refractivity: 72.1127 cm^3
• Polarizability: 28.893906 Å^3
• Polar Surface Area: 55.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 260°C (dec.)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• European Hazard Symbols: Harmful (Xn)
• Risk Statements: R:22
• Safety Statements: S:45-36/37/39

DETAILS

MP Biomedicals - 02190675

A mixture of the hydrochlorides of 3,6-diamino-10-methylacridinium chloride and 3,6-diamino acridine. Acts as an intercalating dye^1 and also reported to inhibit mitochondriogenesis^2
.

REFERENCES

• F.E.B.S. Lett., 7: 347, (1970).
• ) Biochem. Biophys. Res. Commun., 44: 396, (1971).