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Khinotilin

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Name

Khinotilin

EINECS
CAS No. 56583-56-3 Density g/cm3
Solubility Melting Point
Formula C26H26 N2 O4 . 2 I Boiling Point °Cat760mmHg
Molecular Weight 684.34 Flash Point °C
Transport Information Appearance
Safety Poison by ingestion, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx and I. Risk Codes
Molecular Structure Molecular Structure of 56583-56-3 (Quinolinium,1,1'-[(1,4-dioxo-1,4-butanediyl)bis(oxy-2,1-ethanediyl)]bis-, diiodide (9CI)) Hazard Symbols
Synonyms

Chinotilin;Khinotilin; Quinotilin; Quinotiline

 

Khinotilin Chemical Properties

Molecule structure of Khinotilin (CAS NO.56583-56-3) :

IUPAC Name: bis(2-quinolin-1-ium-1-ylethyl) butanedioate diiodide 
Molecular Weight: 684.30458 g/mol
Molecular Formula: C26H26I2N2O4
H-Bond Acceptor: 6
Rotatable Bond Count: 11
Exact Mass: 683.998193
MonoIsotopic Mass: 683.998193
Topological Polar Surface Area: 60.4
Heavy Atom Count: 34 
Complexity: 561
Canonical SMILES: C1=CC=C2C(=C1)C=CC=[N+]2CCOC(=O)CCC(=O)OCC[N+]3=CC=CC4=CC=CC=C43.[I-].
[I-]
InChI: InChI=1S/C26H26N2O4.2HI/c29-25(31-19-17-27-15-5-9-21-7-1-3-11-23(21)27)13-14-26(30)32-20-18-28-16-6-10-22-8-2-4-12-24(22)28;;/h1-12,15-16H,13-14,17-20H2;2*1H/q+2;;/p-2
InChIKey of Khinotilin (CAS NO.56583-56-3) : XCDOBHBOUQWENI-UHFFFAOYSA-L

Khinotilin Toxicity Data With Reference

1.    

orl-mus LD50:320 mg/kg

    EKFMA7    Eksperimental’naya i Klinicheskaya Farmakoterapiya. 11 (1982),111.
2.    

ipr-mus LD50:5600 µg/kg

    EKFMA7    Eksperimental’naya i Klinicheskaya Farmakoterapiya. 11 (1982),111.
3.    

ivn-mus LD50:2200 µg/kg

    PCJOAU    Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. 16 (1982),164.

Khinotilin Safety Profile

Poison by ingestion, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx and I.

Khinotilin Specification

 Khinotilin (CAS NO.56583-56-3) is also called Chinotilin ; Quinotiline ; Quinolinium, 1,1'-((1,4-dioxo-1,4-butanediyl)bis(oxy-2,1-ethanediyl))bis-, diiodide .

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