acridine-3,6-diamine

• ChemBase ID: 994
• Molecular Formular: C13H11N3
• Molecular Mass: 209.24654
• Monoisotopic Mass: 209.09529737
• SMILES: n1c2c(cc3c1cc(N)cc3)ccc(N)c2
• Canonical SMILES: Nc1ccc2c(c1)nc1c(c2)ccc(c1)N
• InChI: InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2
• InChIKey: WDVSHHCDHLJJJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: acridine-3,6-diamine
• IUPAC Traditional name: proflavine
• Brand Name: Isoflav Base; Pro-Gen; Proflavin; Profoliol-B; Proformiphen; Profura; Progarmed; Progesic
• Synonyms: Proflavine; 3,6-Diaminoacridine hemisulfate salt; PROFLAVINE HEMISULFATE; 3,6-Diaminoacridine hydrochloride; PROFLAVINE HYDROCHLORIDE

Database IDs

• CAS Number: 1811-28-5; 952-23-8; 92-62-6
• EC Number: 217-320-3; 213-459-9
• PubChem SID: 46505401; 160964457
• PubChem CID: 7099
• CHEBI ID: 8452
• CHEMBL: 55400
• Chemspider ID: 6832
• DrugBank ID: DB01123
• KEGG ID: C11181
• Unique Ingredient Identifier: CY3RNB3K4T
• Wikipedia Title: Proflavine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.1809355
• LogD (pH = 7.4): 0.9445966
• Log P: 1.8483757
• Molar Refractivity: 65.4583 cm^3
• Polarizability: 26.887074 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: 2.1
• LOG S: -3.3
• Solubility (Water): 1.04e-01 g/l

PROPERTIES

Physical Property

• Solubility: 5E+005 mg/L
• Hydrophobicity(logP): 1.4

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: AR9064000; AR9065100
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: R:36/37/38
• Safety Statements: S:20-25-26-37/39

DETAILS

MP Biomedicals - 02102721

Hemisulfate
Orange powder

MP Biomedicals - 02103600

Orange powder
Hydrochloride

DrugBank - DB01123

• Drug Groups: approved
• Description: 3,6-Diaminoacridine. Topical antiseptic used mainly in wound dressings. [PubChem]
• Indication: Topical antiseptic used mainly in wound dressings.
• Pharmacology: Proflavine is an acriflavine derivative which is a disinfectant bacteriostatic against many gram-positive bacteria. Proflavine is toxic and carcinogenic in mammals and so it is used only as a surface disinfectant or for treating superficial wounds.
• Affected Organisms: Enteric bacteria and other eubacteria
• External Links: Wikipedia