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9-Methoxycamptothecin

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Name

9-Methoxycamptothecin

EINECS
CAS No. 39026-92-1 Density 1.5 g/cm3
Solubility Melting Point 223-225℃
Formula C21H18N2O5 Boiling Point 773.1 °C at 760 mmHg
Molecular Weight 378.378 Flash Point 421.4 °C
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Safety Risk Codes
Molecular Structure Molecular Structure of 39026-92-1 (9-Methoxycamptothecin) Hazard Symbols
Synonyms

{1H-Pyrano[3,} {4:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione-,} 4-ethyl-4-hydroxy-10-methoxy-, (S)-;Camptothecin, 9-methoxy-;9-Methoxycamptothecine;CAMPTOTHECIN,9-METHOXY;4-Ethyl-4-hydroxy-10-methoxy-1H-pyrano[3,4:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione;1H-Pyrano(3,4:6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione-, 4-ethyl-4-hydroxy-10-methoxy-, (S)-;1H-Pyrano[3, 4:6,7]indolizino[1,2-b]quinoline-3,14 (4H,12H)-dione-, 4-ethyl-4-hydroxy-10-methoxy-, (S)-;

 

9-Methoxycamptothecin Specification

The 9-Methoxycamptothecin is an organic compound with the formula C21H18N2O5. The systematic name of this chemical is (4S)-4-ethyl-4-hydroxy-10-methoxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione. With the CAS registry number 39026-92-1, it is also named as 1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-10-methoxy-, (4S)-.

Physical properties about 9-Methoxycamptothecin are: (1)ACD/LogP: 2.00; (2)ACD/LogD (pH 5.5): 1.95; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 17.47; (5)ACD/BCF (pH 7.4): 19.34; (6)ACD/KOC (pH 5.5): 261.86; (7)ACD/KOC (pH 7.4): 289.95; (8)#H bond acceptors: 7; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 77.96 Å2; (12)Index of Refraction: 1.722; (13)Molar Refractivity: 99.81 cm3; (14)Molar Volume: 251.9 cm3; (15)Polarizability: 39.56×10-24cm3; (16)Surface Tension: 77.4 dyne/cm; (17)Density: 1.5 g/cm3; (18)Flash Point: 421.4 °C; (19)Enthalpy of Vaporization: 118.05 kJ/mol; (20)Boiling Point: 773.1 °C at 760 mmHg; (21)Vapour Pressure: 3.78E-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(cc3C4)c(OC)ccc5
(2)InChI: InChI=1/C21H18N2O5/c1-3-21(26)14-8-16-18-11(7-12-15(22-18)5-4-6-17(12)27-2)9-23(16)19(24)13(14)10-28-20(21)25/h4-8,26H,3,9-10H2,1-2H3/t21-/m0/s1
(3)InChIKey: XVMZDZFTCKLZTF-NRFANRHFBW
(4)Std. InChI: InChI=1S/C21H18N2O5/c1-3-21(26)14-8-16-18-11(7-12-15(22-18)5-4-6-17(12)27-2)9-23(16)19(24)13(14)10-28-20(21)25/h4-8,26H,3,9-10H2,1-2H3/t21-/m0/s1
(5)Std. InChIKey: XVMZDZFTCKLZTF-NRFANRHFSA-N

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