10H,13H-Benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-10,13-dione,1-amino-9-ethyl-5-fluoro-1,2,3,9,12,15-hexahydro-9-hydroxy-4-methyl-, (1S,9S)- (171335-80-1)

The systematic name of Exatecan is (1S,9S)-1-amino-9-ethyl-5-fluoro-9-hydroxy-4-methyl-1,2,3,9,12,15-hexahydro-10H,13H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-10,13-dione. With the CAS registry number 171335-80-1, it is also named as 10H,13H-Benzo(de)pyrano(3',4':6,7)indolizino(1,2-b)quinoline-10,13-dione, 1-amino-9-ethyl-5-fluoro-. The product's classification codes are Antineoplastic Agents; Antineoplastic Agents, Phytogenic; Enzyme Inhibitors. In addition, its molecular formula is C₂₄H₂₂FN₃O₄ and its molecular weight is 435.45. This chemical is a drug which is an analogue of camptothecin.

The other characteristics of Exatecan can be summarized as: (1)ACD/LogP: 1.69; (2)# of Rule of 5 Violations: 0; (3)H bond acceptors: 7; (4)H bond donors: 3; (5)Freely Rotating Bonds: 3; (6)Polar Surface Area: 71.97 Å²; (7)Index of Refraction: 1.734; (8)Molar Refractivity: 113.62 cm³; (9)Molar Volume: 283.1 cm³; (10)Polarizability: 45.04×10^-24cm³; (11)Surface Tension: 80.9 dyne/cm; (12)Density: 1.53 g/cm³; (13)Flash Point: 448.7 °C; (14)Enthalpy of Vaporization: 124.71 kJ/mol; (15)Boiling Point: 818.4 °C at 760 mmHg; (16)Vapour Pressure: 2.47E-28 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:Fc2c(c6c1c(c5c(nc1c2)C=3N(C(=O)\C4=C(/C=3)[C@](O)(C(=O)OC4)CC)C5)[C@@H](N)CC6)C
(2)InChI:InChI=1/C24H22FN3O4/c1-3-24(31)14-6-18-21-12(8-28(18)22(29)13(14)9-32-23(24)30)19-16(26)5-4-11-10(2)15(25)7-17(27-21)20(11)19/h6-7,16,31H,3-5,8-9,26H2,1-2H3/t16-,24-/m0/s1
(3)InChIKey:ZVYVPGLRVWUPMP-FYSMJZIKBW
(4)Std. InChI:InChI=1S/C24H22FN3O4/c1-3-24(31)14-6-18-21-12(8-28(18)22(29)13(14)9-32-23(24)30)19-16(26)5-4-11-10(2)15(25)7-17(27-21)20(11)19/h6-7,16,31H,3-5,8-9,26H2,1-2H3/t16-,24-/m0/s1
(5)Std. InChIKey:ZVYVPGLRVWUPMP-FYSMJZIKSA-N