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| Name |
Ledakrin |
EINECS | N/A |
| CAS No. | 6514-85-8 | Density | 1.269g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C18H20N4O2•2ClH | Boiling Point | 522°Cat760mmHg |
| Molecular Weight | 397.34 | Flash Point | 269.5°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by subcutaneous and intravenous routes. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx and HCl. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
Ledakrin Chemical Properties
Molecule structure of Ledakrin (CAS NO.6514-85-8) :
.gif)
IUPAC Name: dimethyl-[3-[(1-nitroacridin-9-yl)azaniumyl]propyl]azanium dichloride
Molecular Weight: 397.29888 g/mol
Molecular Formula: C18H22Cl2N4O2
Boiling Point: 522 °C at 760 mmHg
Flash Point: 269.5 °C
Enthalpy of Vaporization: 79.54 kJ/mol
Vapour Pressure: 5.37E-11 mmHg at 25 °C
H-Bond Donor: 2
H-Bond Acceptor: 5
Rotatable Bond Count: 5
Tautomer Count: 2
Exact Mass: 396.111981
MonoIsotopic Mass: 396.111981
Topological Polar Surface Area: 77.1
Heavy Atom Count: 26
Complexity: 426
Canonical SMILES: C[NH+](C)CCC[NH2+]C1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-].[Cl-].[Cl-]
InChI: InChI=1S/C18H20N4O2.2ClH/c1-21(2)12-6-11-19-18-13-7-3-4-8-14(13)20-15-9-5-10-16(17(15)18)22(23)24;;/h3-5,7-10H,6,11-12H2,1-2H3,(H,19,20);2*1H
InChIKey of Ledakrin (CAS NO.6514-85-8) : XBHIADYHFGJGSK-UHFFFAOYSA-N
Ledakrin Toxicity Data With Reference
| 1. | mmo-sat 2500 pg/plate | PJPPAA Polish Journal of Pharmacology and Pharmacy. 31 (1979),661. | ||
| 2. | pic-esc 600 ng/plate | PJPPAA Polish Journal of Pharmacology and Pharmacy. 31 (1979),661. | ||
| 3. | hma-mus/sat 500 µg/kg | PJPPAA Polish Journal of Pharmacology and Pharmacy. 31 (1979),661. | ||
| 4. | scu-mus LD50:1 mg/kg | PJPPAA Polish Journal of Pharmacology and Pharmacy. 31 (1979),661. | ||
| 5. | ivn-pgn LD50:1010 µg/kg | AITEAT Archivum Immunologiae et Therapiae Experimentalis. 28 (1980),777. |
Ledakrin Safety Profile
Poison by subcutaneous and intravenous routes. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx and HCl.
Ledakrin Specification
Ledakrin (CAS NO.6514-85-8) is also called 1-Nitro-9-(3-dimethylaminopropylamino)-acridine dihydrochloride ; C 283 ;
C-283 ; CCRIS 9297 ; Ledacrine ; NSC 247561 ; Nitracrine HCl ; Nitracrine dihydrochloride ; 1,3-Propanediamine, N,N-dimethyl-N'-(1-nitro-9-acridinyl)-, dihydrochloride (9CI) ; Acridine, 9-((3-(dimethylamino)propyl)amino)-1-nitro-,
dihydrochloride .
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