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952-23-8 molecular structure
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acridine-3,6-diamine

ChemBase ID: 994
Molecular Formular: C13H11N3
Molecular Mass: 209.24654
Monoisotopic Mass: 209.09529737
SMILES and InChIs

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

Cite this record

CBID:994 http://www.chembase.cn/molecule-994.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

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

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
H Acceptors H Donor
LogD (pH = 5.5) 0.1809355  LogD (pH = 7.4) 0.9445966 
Log P 1.8483757  Molar Refractivity 65.4583 cm3
Polarizability 26.887074 Å3 Polar Surface Area 64.93 Å2
Rotatable Bonds Lipinski's Rule of Five true 
Log P 2.1  LOG S -3.3 
Solubility (Water) 1.04e-01 g/l 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
5E+005 mg/L expand Show data source
Hydrophobicity(logP)
1.4 expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
RTECS
AR9064000 expand Show data source
AR9065100 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Risk Statements
R:36/37/38 expand Show data source
Safety Statements
S:20-25-26-37/39 expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals DrugBank DrugBank Wikipedia Wikipedia
MP Biomedicals - 02102721 external link
Hemisulfate
Orange powder
MP Biomedicals - 02103600 external link
Orange powder
Hydrochloride
DrugBank - DB01123 external link
Item Information
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

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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