acridine-3,6-diamine

• ChemBase编号: 994
• 分子式: C13H11N3
• 平均质量: 209.24654
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: acridine-3,6-diamine
• IUPAC传统名: proflavine
• 商标名: Isoflav Base; Pro-Gen; Proflavin; Profoliol-B; Proformiphen; Profura; Progarmed; Progesic
• 别名: Proflavine; 3,6-Diaminoacridine hemisulfate salt; PROFLAVINE HEMISULFATE; 3,6-Diaminoacridine hydrochloride; PROFLAVINE HYDROCHLORIDE

登记号

• CAS号: 952-23-8; 1811-28-5; 92-62-6
• EC号: 213-459-9; 217-320-3
• PubChem SID: 160964457; 46505401
• PubChem CID: 7099
• CHEBI ID: 8452
• CHEMBL: 55400
• Chemspider ID: 6832
• DrugBank ID: DB01123
• KEGG ID: C11181
• 美国药典/FDA物质标识码: CY3RNB3K4T
• 维基百科标题: Proflavine

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 0.1809355
• LogD (pH = 7.4): 0.9445966
• Log P: 1.8483757
• 摩尔折射率: 65.4583 cm^3
• 极化性: 26.887074 Å^3
• 极化表面积: 64.93 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: 2.1
• LOG S: -3.3
• 溶解度: 1.04e-01 g/l

分子性质

理化性质

• 溶解度: 5E+005 mg/L
• 疏水性(logP): 1.4

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: AR9064000; AR9065100
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 危险公开号: R:36/37/38
• 安全公开号: S:20-25-26-37/39

详细说明

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