Ciclopirox ethanolamine

The IUPAC name of Ciclopirox ethanolamine is 2-aminoethanol; 6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one. With the CAS registry number 41621-49-2, it is also named as Batrafen. The product's classification codes are Antifungal; Drug / Therapeutic Agent. Besides, it is used as anti-infective, which should be stored in sealed, cool and dry place. In addition, its molecular formula is C₁₂H₁₇NO₂^.C₂H₇NO and molecular weight is 268.35.

The other characteristics of Ciclopirox ethanolamine can be summarized as: (1)EINECS: 255-464-9; (2)ACD/LogP: 2.59; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 2.51; (5)ACD/LogD (pH 7.4): 1.4; (6)ACD/BCF (pH 5.5): 46.09; (7)ACD/BCF (pH 7.4): 3.58; (8)ACD/KOC (pH 5.5): 515.41; (9)ACD/KOC (pH 7.4): 40.03; (10)#H bond acceptors: 3; (11)#H bond donors: 1; (12)#Freely Rotating Bonds: 2; (13)Polar Surface Area: 29.54 Å²; (14)Flash Point: 165.5 °C; (15)Melting Point: 144 °C; (16)Enthalpy of Vaporization: 68.85 kJ/mol; (17)Boiling Point: 350 °C at 760 mmHg; (18)Vapour Pressure: 2.71E-06 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is harmful by inhalation and if swallowed. It is also may cause sensitization by inhalation and skin contact.. Please do not breathe dust. Moreover, it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C1/C=C(\C=C(/N1O)C2CCCCC2)C.OCCN
(2)InChI: InChI=1/C12H17NO2.C2H7NO/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10;3-1-2-4/h7-8,10,15H,2-6H2,1H3;4H,1-3H2
(3)InChIKey: MBRHNTMUYWQHMR-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C12H17NO2.C2H7NO/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10;3-1-2-4/h7-8,10,15H,2-6H2,1H3;4H,1-3H2
(5)Std. InChIKey: MBRHNTMUYWQHMR-UHFFFAOYSA-N

The toxicity data is as follows: