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256411-32-2
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Basic Information
CAS No.: 256411-32-2
Name: (S)-4-Ethyl-4-hydroxy-11-[2-(isopropylamino)ethyl]-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14-dione
Molecular Structure:
Molecular Structure of 256411-32-2 ((S)-4-Ethyl-4-hydroxy-11-[2-(isopropylamino)ethyl]-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14-dione)
Formula: C25H27N3O4
Molecular Weight: 433.51
Synonyms: Belotecan;
Density: 1.36 g/cm3
Boiling Point: 772.4 °C at 760 mmHg
Flash Point: 420.9 °C
PSA: 93.45000
LogP: 3.01100
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Specification

The Camtobell, with the CAS registry number 256411-32-2, is also known as 7-(2-(N-Isopropylamino)ethyl)camptothecin. This chemical's molecular formula is C25H27N3O4 and molecular weight is 433.51. Its systematic name is called (4S)-4-ethyl-4-hydroxy-11-{2-[(1-methylethyl)amino]ethyl}-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione.

Physical properties of Camtobell: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.29; (4)ACD/LogD (pH 7.4): -0.41; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1.32; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.678; (13)Molar Refractivity: 120.22 cm3; (14)Molar Volume: 318.5 cm3; (15)Surface Tension: 67.6 dyne/cm; (16)Density: 1.36 g/cm3; (17)Flash Point: 420.9 °C; (18)Enthalpy of Vaporization: 117.95 kJ/mol; (19)Boiling Point: 772.4 °C at 760 mmHg; (20)Vapour Pressure: 4.21E-25 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\1N4\C(=C/C2=C/1COC(=O)[C@]2(O)CC)c3nc5c(c(c3C4)CCNC(C)C)cccc5
(2)InChI: InChI=1/C25H27N3O4/c1-4-25(31)19-11-21-22-17(12-28(21)23(29)18(19)13-32-24(25)30)15(9-10-26-14(2)3)16-7-5-6-8-20(16)27-22/h5-8,11,14,26,31H,4,9-10,12-13H2,1-3H3/t25-/m0/s1
(3)InChIKey: LNHWXBUNXOXMRL-VWLOTQADBM