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| CAS No.: | 519-23-3 |
|---|---|
| Name: | ELLIPTICINE |
| Article Data: | 68 |
| Molecular Structure: | |
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|
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| Formula: | C17H14 N2 |
| Molecular Weight: | 246.312 |
| Synonyms: | Ellipticine(6CI); 5,11-Dimethyl-6H-pyrido[4,3-b]carbazole; CP 5; NSC 71795 |
| Density: | 1.257g/cm3 |
| Melting Point: | 316-318°C |
| Boiling Point: | 495.4°Cat760mmHg |
| Flash Point: | 227.1°C |
| Hazard Symbols: | T |
| Risk Codes: | 25 |
| Safety: | Poison by ingestion, intravenous, and intraperitoneal routes. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. |
| PSA: | 28.68000 |
| LogP: | 4.48610 |
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- Total:37 Page 1 of 1 1
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Chemistry
Molecule structure of Elliptisine (CAS NO.519-23-3) :
IUPAC Name: 5,11-dimethyl-6H-pyrido[4,3-b]carbazole
Molecular Weight: 246.30646 g/mol
Molecular Formula: C17H14N2
Density: 1.257 g/cm3
Melting Point: 313 °C
Boiling Point: 495.4 °C at 760 mmHg
Flash Point: 227.1 °C
Index of Refraction: 1.777
Molar Refractivity: 81.95 cm3
Molar Volume: 195.8 cm3
Polarizability: 32.48*10-24 cm3
Surface Tension: 61.1 dyne/cm
Enthalpy of Vaporization: 73.4 kJ/mol
log P (octanol-water): 4.8
Water Solubility: 0.153 mg/L
Vapor Pressure: 2.14E-08 mm Hg
Henry's Law Constant: 1.35E-11 atm-m3/mole
Atmospheric OH Rate Constant: 8.99E-11 cm3/molecule-sec
XLogP3: 4.8
H-Bond Donor: 1
H-Bond Acceptor: 1
Tautomer Count: 2
Exact Mass: 246.115698
MonoIsotopic Mass: 246.115698
Topological Polar Surface Area: 28.7
Heavy Atom Count: 19
Complexity: 342
Canonical SMILES: CC1=C2C(=C(C3=C1C=CN=C3)C)C4=CC=CC=C4N2
InChI: InChI=1S/C17H14N2/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h3-9,19H,1-2H3
InChIKey: CTSPAMFJBXKSOY-UHFFFAOYSA-N
EINECS of Elliptisine (CAS NO.519-23-3) : 208-264-0
Product Categories: Alkaloids;Indoles and derivatives;Antitumour
Storage Temp.: 2-8 °C
Solubility: DMSO: soluble
Merck: 13,3581
Toxicity Data With Reference
| 1. | mmo-sat 1 µg/plate | BICMBE Biochimie. 60 (1978),1011. | ||
| 2. | pic-esc 500 ng/plate | CNREA8 Cancer Research. 43 (1983),2819. | ||
| 3. | sce-ham:ovr 100 µg/L | CNREA8 Cancer Research. 43 (1983),577. | ||
| 4. | orl-mus LD50:178 mg/kg | MEIEDD Merck Index. 10 (1983),512. | ||
| 5. | ipr-mus LD50:150 mg/kg | BIMDB3 Biomedicine. 21 (1974),101. | ||
| 6. | ivn-mus LD50:19,500 µg/kg | MEIEDD Merck Index. 10 (1983),512. |
Safety Profile
Poison by ingestion, intravenous, and intraperitoneal routes. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
Hazard Codes: 
T
Risk Statements: 25
R25: Toxic if swallowed
Safety Statements: 45
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible)
RIDADR: UN 3462 6.1/PG 3
WGK Germany: 3
RTECS: UU8825000
HazardClass: 6.1(b)
PackingGroup: III
Specification
Elliptisine (CAS NO.519-23-3) is also called 5,11-Dimethyl-6H-pyrido(4,3-b)carbazole ; 5-23-09-00417 (Beilstein Handbook Reference) ; BRN 0221300 ; CCRIS 2003 ; CP 5 ; Celiptium ; Ellipticine ; ICIG 770 ; NSC 71795 .