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Togal

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Name

Togal

EINECS N/A
CAS No. 8064-38-8 Density N/A
PSA 249.81000 LogP 0.77260
Solubility N/A Melting Point N/A
Formula C20H24N2O2•C9H8O4•C6H5O7•2ClH•3Li Boiling Point 495.9oC at 760 mmHg
Molecular Weight 786.47 Flash Point 253.7oC
Transport Information N/A Appearance N/A
Safety Moderately toxic by ingestion. An experimental teratogen. When heated to decomposition it emits toxic fumes of NOx, Li, and HCl. Risk Codes N/A
Molecular Structure Molecular Structure of 8064-38-8 (togal) Hazard Symbols N/A
Synonyms

togal

 

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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