Proflavine hemisulfateProduct ingredient for Proflavine

Name
Proflavine hemisulfate
Drug Entry
Proflavine

3,6-Diaminoacridine. Topical antiseptic used mainly in wound dressings.

Accession Number
DBSALT001573
Structure
Synonyms
Not Available
UNII
27V8M747VB
CAS Number
1811-28-5
Weight
Average: 516.58
Monoisotopic: 516.157974451
Chemical Formula
C26H24N6O4S
InChI Key
YADYXCVYLIKQJX-UHFFFAOYSA-N
InChI
InChI=1S/2C13H11N3.H2O4S/c2*14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10;1-5(2,3)4/h2*1-7H,14-15H2;(H2,1,2,3,4)
IUPAC Name
bis(acridine-3,6-diamine); sulfuric acid
SMILES
OS(O)(=O)=O.NC1=CC2=NC3=C(C=CC(N)=C3)C=C2C=C1.NC1=CC2=NC3=C(C=CC(N)=C3)C=C2C=C1
ChemSpider
14968
ChEMBL
CHEMBL465704
Predicted Properties
PropertyValueSource
Water Solubility0.104 mg/mLALOGPS
logP2.1ALOGPS
logP1.85Chemaxon
logS-3.3ALOGPS
pKa (Strongest Basic)8.32Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area64.93 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity65.46 m3·mol-1Chemaxon
Polarizability23.18 Å3Chemaxon
Number of Rings6Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon