-
Name
togal
- EINECS
- CAS No. 8064-38-8
- Density
- Solubility
- Melting Point
- Formula C20H24N2O2•C9H8O4•C6H5O7•2ClH•3Li
- Boiling Point 495.9oC at 760 mmHg
- Molecular Weight 786.47
- Flash Point 253.7oC
- Transport Information
- Appearance
- Safety Moderately toxic by ingestion. An experimental teratogen. When heated to decomposition it emits toxic fumes of NOx, Li, and HCl−.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms togal
- PSA 249.81000
- LogP 0.77260
Togal Chemical Properties
Product Name: Togal (CAS NO.8064-38-8)
Molecular Formula: C35H39Cl2Li3N2O13
Molecular Weight: 787.4188g/mol
Mol File: 8064-38-8.mol
Boiling point: 495.9 °C at 760 mmHg
Flash Point: 253.7 °C
Enthalpy of Vaporization: 80.41 kJ/mol
Vapour Pressure: 1.19E-10 mmHg at 25°C
XLogP3-AA:
H-Bond Donor: 5
H-Bond Acceptor: 15
Structure Descriptors of Togal (CAS NO.8064-38-8):
IUPAC Name: trilithium; 2-acetyloxybenzoic acid;(5-ethenyl-1-azabicyclo[2.2.2]octan-7-yl)-(6-methoxyquinolin-4-yl)methanol; 2-hydroxypropane-1,2,3-tricarboxylate; dihydrochloride
Canonical SMILES: [Li+].[Li+].[Li+].CC(=O)OC1=CC=CC=C1C(=O)O.COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.Cl.Cl
InChI: InChI=1S/C20H24N2O2.C9H8O4.C6H8O7.2ClH.3Li/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-6(10)13-8-5-3-2-4-7(8)9(11)12;7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;2-5H,1H3,(H,11,12);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2*1H;;;/q;;;;;3*+1/p-3
InChIKey: BJYYYLVNIDZUEL-UHFFFAOYSA-K
Togal Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LDLo | oral | 500mg/kg (500mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 24, Pg. 1305, 1974. |
Togal Safety Profile
Moderately toxic by ingestion. An experimental teratogen. When heated to decomposition it emits toxic fumes of NOx, Li, and HCl−.
Togal Specification
Togal ,its CAS NO. is 8064-38-8,the synonyms is Cinchonan-9-ol, 6'-methoxy-, dihydrochloride, (8-alpha,9R)-, mixt. with 2-(acetyloxy)benzoic acid and 2-hydroxy-1,2,3-propanetricarboxylic acid, trilithium salt .
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