{3-[(1-benzyl-1H-indazol-3-yl)oxy]propyl}dimethylamine hydrochloride

• ChemBase ID: 104139
• Molecular Formular: C19H24ClN3O
• Molecular Mass: 345.86636
• Monoisotopic Mass: 345.16079008
• SMILES: Cl.CN(C)CCCOc1nn(Cc2ccccc2)c2c1cccc2
• Canonical SMILES: CN(CCCOc1nn(c2c1cccc2)Cc1ccccc1)C.Cl
• InChI: InChI=1S/C19H23N3O.ClH/c1-21(2)13-8-14-23-19-17-11-6-7-12-18(17)22(20-19)15-16-9-4-3-5-10-16;/h3-7,9-12H,8,13-15H2,1-2H3;1H
• InChIKey: HNNIWKQLJSNAEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {3-[(1-benzyl-1H-indazol-3-yl)oxy]propyl}dimethylamine hydrochloride
• IUPAC Traditional name: tantum hydrochloride
• Synonyms: 3-((1-benzyl-1H-indazol-3-yl)oxy)-N,N-dimethylpropan-1-amine hydrochloride; N,N-Dimethyl-3-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]-1-propanamine Hydrochloride; 1-Benzyl-3-[3-(dimethylamino)propoxy]-1H-indazole Hydrochloride; Afloben; Alcidol; Andolex; Benalgin; Benciflam; Bendaminol; Benzyrin; Difflam; Difflam Cream; Dorinamin; Enzamin; Imotryl; Riripen; Salyzoron; Saniflor; Tamas; Tantum; Verax; Benzydamine Hydrochloride; Benzydamine hydrochloride; 1-Benzyl-3[3-dimethylamino)-propoxy]-1H-indazole; BENZYDAMINE; Benzindamine hydrochloride; 1-苄基-3-[3-(二甲基氨基)丙氧基]-1H-吲唑; 苄达明 盐酸盐

Database IDs

• CAS Number: 132-69-4
• EC Number: 205-076-0
• MDL Number: MFCD00078957
• PubChem SID: 162091619; 24891840
• PubChem CID: 65464

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.3502634
• LogD (pH = 7.4): 1.8069162
• Log P: 3.6598475
• Molar Refractivity: 105.5629 cm^3
• Polarizability: 37.47632 Å^3
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Methanol
• Apperance: Off-White Solid
• Melting Point: 147-153°C

Safety Information

• Storage Condition: 2-8°C; Refrigerator
• RTECS: NK7875000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36; R:22-36
• Safety Statements: 26-36; S:26-36/37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H319
• GHS Precautionary statements: P305 + P351 + P338
• Storage Temperature: 2-8°C

Pharmacology Properties

• Target: Others

Product Information

• Purity: 95+%
• Salt Data: HCl

DETAILS

MP Biomedicals - 02154838

(1-Benzyl-3[3-dimethylamino)-propoxy]-1H-indazole) Hydrochloride

Toronto Research Chemicals - B209950

A nonsteroidal anti-inflammatory drug with local anaesthetic, analgesic and antipyretic properties.

REFERENCES

• Passali, D., et al.: Clin. Ther., 23, 1508 (2001)
• Erbagci, Z., et al.: J. Dermatol., 31, 376 (2001)
• Sarveiya, V., et al.: Eur. J. Pharm. Sci., 26, 39 (2001)