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| CAS No.: | 27591-69-1 |
|---|---|
| Name: | Tilorone dihydrochloride |
| Article Data: | 4 |
| Molecular Structure: | |
|
|
|
| Formula: | C25H36Cl2N2O3 |
| Molecular Weight: | 483.478 |
| Synonyms: | 9H-Fluoren-9-one,2,7-bis[2-(diethylamino)ethoxy]-, dihydrochloride (9CI);Fluoren-9-one,2,7-bis[2-(diethylamino)ethoxy]-, dihydrochloride (8CI);Amixinum;Amyxin;DEAE-F;RMI 10008DA;RMI 10028DA;Tilorone hydrochloride; |
| Density: | 1.102g/cm3 |
| Melting Point: | 230-233 °C |
| Boiling Point: | 552.3 °C at 760 mmHg |
| Flash Point: | 287.8 °C |
| Appearance: | orange yellow crystal powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21/22-36/37/38-40 |
| Safety: | 7-22-26-37/39 |
| PSA: | 42.01000 |
| LogP: | 5.94320 |
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Chemistry
Molecular Structure of Tilorone dihydrochloride (CAS NO.27591-69-1):
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IUPAC Name: 2,7-bis(2-diethylaminoethyloxy)fluoren-9-one dihydrochloride
Empirical Formula: C25H36Cl2N2O3
Molecular Weight: 483.4709
H bond acceptors: 5
H bond donors: 0
Freely Rotating Bonds: 12
Polar Surface Area: 42.01Å2
Melting Point: 230-233 °C
Merck: 13,9517
Flash Point: 287.8 °C
Enthalpy of Vaporization: 83.28 kJ/mol
Boiling Point: 552.3 °C at 760 mmHg
Vapour Pressure: 3.05E-12 mmHg at 25°C
InChI
InChI=1/C25H34N2O3.2ClH/c1-5-26(6-2)13-15-29-19-9-11-21-22-12-10-20(30-16-14-27(7-3)8-4)18-24(22)25(28)23(21)17-19;;/h9-12,17-18H,5-8,13-16H2,1-4H3;2*1H
Smiles
c12c3ccc(cc3C(c1cc(OCCN(CC)CC)cc2)=O)OCCN(CC)CC.Cl.Cl
Product Categories: Fluorene series; Fused Ring Systems
Toxicity Data With Reference
| 1. | dnd-esc 20 µmol/L | MUREAV Mutation Research. 89 (1981),95. | ||
| 2. | dni-mus:leu 14,600 µg/L | INNDDK Investigational New Drugs. The Journal of New Anticancer Agents. 1 (1983),103. | ||
| 3. | orl-hmn TDLo:4 mg/kg:CNS,GIT | CCROBU Cancer Chemotherapy Reports, Part 1. 57 (1973),209. | ||
| 4. | orl-rat LD50:852 mg/kg | SCIEAS Science. 169 (1970),1213. | ||
| 5. | ipr-rat LD50:244 mg/kg | SCIEAS Science. 169 (1970),1213. | ||
| 6. | orl-mus LD50:959 mg/kg | SCIEAS Science. 169 (1970),1213. | ||
| 7. | ipr-mus LD50:145 mg/kg | SCIEAS Science. 169 (1970),1213. |
Safety Profile
Poison by intraperitoneal route. Moderately toxic by ingestion. Experimental reproductive effects. Human systemic effects by ingestion: somnolence, anorexia, hypermotility and diarrhea. Mutation data reported. When heated to decomposition it emits very toxic fumes of HCl and NOx.Safety information of Tilorone dihydrochloride (CAS NO.27591-69-1):
Hazard Codes: 
Xn
Risk Statements:
20/21/22: Harmful by inhalation, in contact with skin and if swallowed
36/37/38: Irritating to eyes, respiratory system and skin
40: Limited evidence of a carcinogenic effect
Safety Statements:
7: Keep container tightly closed
22: Do not breathe dust
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
37/39: Wear suitable gloves and eye/face protection
WGK Germany: 3
RTECS: LL9000000
Specification
Tilorone dihydrochloride , with CAS number of 27591-69-1, can be called 9H-Fluoren-9-one,2,7-bis[2-(diethylamino)ethoxy]-, dihydrochloride (9CI) ; Fluoren-9-one,2,7-bis[2-(diethylamino)ethoxy]-, dihydrochloride (8CI) ; Tilorone hydrochloride .
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