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| CAS No.: | 64439-81-2 |
|---|---|
| Name: | 10-Hydroxycamptothecin |
| Molecular Structure: | |
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| Formula: | C20H16N2O5 |
| Molecular Weight: | 364.357 |
| Synonyms: | (+/-)-4-Ethyl-4,9-dihydroxy-1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; |
| EINECS: | 613-598-9 |
| Density: | 1.60 g/cm3 |
| Melting Point: | 230-237 °C |
| Boiling Point: | 820.7 °C at 760 mmHg |
| Flash Point: | 450.1 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 101.65000 |
| LogP: | 1.78520 |
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Specification
This chemical is called 10-Hydroxycamptothecin, and its systematic name is (4S)-4-ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione. With the molecular formula of C20H16N2O5, its molecular weight is 364.35. The CAS registry number of this chemical is 64439-81-2, and its product categories are Antineoplastic; Camptothecin Series. In addition, this chemical should be stored at the temperature of −20 °C.
Other characteristics of the 10-Hydroxycamptothecin can be summarised as followings: (1)ACD/LogP: 1.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.25; (4)ACD/LogD (pH 7.4): 1.3; (5)ACD/BCF (pH 5.5): 5.07; (6)ACD/BCF (pH 7.4): 5.64; (7)ACD/KOC (pH 5.5): 106.37; (8)ACD/KOC (pH 7.4): 118.3; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 77.96 Å2; (13)Index of Refraction: 1.776; (14)Molar Refractivity: 94.97 cm3; (15)Molar Volume: 227 cm3; (16)Polarizability: 37.65×10-24cm3; (17)Surface Tension: 92.4 dyne/cm; (18)Density: 1.6 g/cm3; (19)Flash Point: 450.1 °C; (20)Enthalpy of Vaporization: 125.05 kJ/mol; (21)Boiling Point: 820.7 °C at 760 mmHg; (22)Vapour Pressure: 1.67E-28 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)cc(O)cc5
2.InChI: InChI=1/C20H16N2O5/c1-2-20(26)14-7-16-17-11(5-10-6-12(23)3-4-15(10)21-17)8-22(16)18(24)13(14)9-27-19(20)25/h3-7,23,26H,2,8-9H2,1H3/t20-/m0/s1
3.InChIKey: HAWSQZCWOQZXHI-FQEVSTJZBC