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| CAS No.: | 144510-96-3 |
|---|---|
| Name: | Pixantrone |
| Molecular Structure: | |
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| Formula: | C17H19N5O2 |
| Molecular Weight: | 325.37 |
| Synonyms: | 6,9-Bis[(2-aminoethyl)amino]benz[g]isoquinoline-5,10-dione; |
| Density: | 1.405 g/cm3 |
| Boiling Point: | 650 °C at 760 mmHg |
| Flash Point: | 346.9 °C |
| PSA: | 123.13000 |
| LogP: | 2.14480 |
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Specification
The Pixantrone is an organic compound with the formula C17H19N5O2. The systematic name of this chemical is 6,9-bis[(2-aminoethyl)amino]benzo[g]isoquinoline-5,10-dione. With the CAS registry number 144510-96-3, it is also named as 5,8-Bis((2-aminoethyl)amino)-2-aza-anthracene-9,10-dione. The product's category is APIs. Besides, it is a substance that is being studied in the treatment of cancer. It belongs to the family of drugs called antitumor antibiotics. Pixantrone is being studied as an antineoplastic for different kinds of cancer, including solid tumors and hematological malignancies such as non-Hodgkin lymphomas.
Physical properties about Pixantrone are: (1)ACD/LogP: -1.13; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 7; (4)#H bond donors: 6; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 59.99 Å2; (7)Index of Refraction: 1.728; (8)Molar Refractivity: 92.31 cm3; (9)Molar Volume: 231.5 cm3; (10)Polarizability: 36.59×10-24cm3; (11)Surface Tension: 84.9 dyne/cm; (12)Density: 1.405 g/cm3; (13)Flash Point: 346.9 °C; (14)Enthalpy of Vaporization: 95.8 kJ/mol; (15)Boiling Point: 650 °C at 760 mmHg; (16)Vapour Pressure: 8.89E-17 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c3c(C(=O)c1c(ccc(NCCN)c12)NCCN)cncc3
(2)InChI: InChI=1/C17H19N5O2/c18-4-7-21-12-1-2-13(22-8-5-19)15-14(12)16(23)10-3-6-20-9-11(10)17(15)24/h1-3,6,9,21-22H,4-5,7-8,18-19H2
(3)InChIKey: PEZPMAYDXJQYRV-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C17H19N5O2/c18-4-7-21-12-1-2-13(22-8-5-19)15-14(12)16(23)10-3-6-20-9-11(10)17(15)24/h1-3,6,9,21-22H,4-5,7-8,18-19H2
(5)Std. InChIKey: PEZPMAYDXJQYRV-UHFFFAOYSA-N