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56583-56-3

Basic Information
CAS No.: 56583-56-3
Name: chinotilin
Molecular Structure:
Molecular Structure of 56583-56-3 (chinotilin)
Formula: C26H26 N2 O4 . 2 I
Molecular Weight: 684.34
Synonyms: Chinotilin;Khinotilin; Quinotilin; Quinotiline
Density: g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: Poison by ingestion, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx and I.
PSA: 60.36000
LogP: -2.85720
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  • Pregnane-11,20-dione,3,21-dihydroxy-, (3a,5b)-

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    56583-56-3

    Pregnane-11,20-dione,3,21-dihydroxy-, (3a,5b)-

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  • chinotilin

  • Casno:

    56583-56-3

    chinotilin

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    factory?direct?saleAppearance:White powder Storage:Sealed and preserved Package:200/Kilograms Application:healing drugs Transportation:By sea Port:Shanghai/tianjin

    Zhejiang Jiuzhou Chemical Co.,Ltd is a market-oriented and innovation-driven biopharmaceutical company. The company is focusing on the R&D, manufacturing and sales of pharmaceutica

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Chemistry

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

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.

Safety Profile

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

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 .