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Isoquinolium, 2-(3-(4-formylpyridinio)propyl)-, dibromide, oxime

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Name

Isoquinolium, 2-(3-(4-formylpyridinio)propyl)-, dibromide, oxime

EINECS N/A
CAS No. 78186-39-7 Density N/A
PSA 38.24000 LogP 0.76670
Solubility N/A Melting Point 215-216 °C
Formula C18H19 N3 O . 2 Br Boiling Point N/A
Molecular Weight 453.176 Flash Point N/A
Transport Information N/A Appearance N/A
Safety A poison by subcutaneous route. When heated to decomposition it emits toxic vapors of NOx and Br. Risk Codes N/A
Molecular Structure Molecular Structure of 78186-39-7 (2-(3-(4-Formylpyridinio)propyl)isoquinolium dibromide oxime) Hazard Symbols N/A
Synonyms

2-(3-Bromopropyl)isoquinoliniumbromide, quaternary compd. with isonicotinaldehyde oxime (6CI);Isoquinolinium,2-[3-[4-[(hydroxyimino)methyl]pyridinio]propyl]-, dibromide (9CI);

 

Isoquinolium, 2-(3-(4-formylpyridinio)propyl)-, dibromide, oxime Chemical Properties

Product Name: Isoquinolium, 2-(3-(4-formylpyridinio)propyl)-, dibromide, oxime
CAS Registry Number: 78186-39-7
IUPAC Name: [1-(3-isoquinolin-2-ium-2-ylpropyl)pyridin-4-ylidene]methyl-oxoazanium dibromide
Molecular Weight: 453.17096 [g/mol]
Molecular Formula: C18H19Br2N3O
H-Bond Donor: 1
H-Bond Acceptor: 4 
Canonical SMILES: C1=CC=C2C=[N+](C=CC2=C1)CCCN3C=CC(=C[NH+]=O)C=C3.[Br-].[Br-]
InChI: InChI=1S/C18H18N3O.2BrH/c22-19-14-16-6-11-20(12-7-16)9-3-10-21-13-8-17-4-1-2-5-18(17)15-21;;/h1-2,4-8,11-15H,3,9-10H2;2*1H/q+1;;/p-1
InChIKey: BSNGBYAHPJSCMA-UHFFFAOYSA-M
Following is the molecular structure of Isoquinolium, 2-(3-(4-formylpyridinio)propyl)-, dibromide, oxime (CAS NO.78186-39-7) is:

Isoquinolium, 2-(3-(4-formylpyridinio)propyl)-, dibromide, oxime Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD subcutaneous > 20mg/kg (20mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 14, Pg. 186, 1959.

Isoquinolium, 2-(3-(4-formylpyridinio)propyl)-, dibromide, oxime Safety Profile

A poison by subcutaneous route. When heated to decomposition it emits toxic vapors of NOx and Br.

Isoquinolium, 2-(3-(4-formylpyridinio)propyl)-, dibromide, oxime Specification

 Isoquinolium, 2-(3-(4-formylpyridinio)propyl)-, dibromide, oxime , its cas register number is 78186-39-7. It also can be called 2-(3-(4-Formylpyridinio)propyl)isoquinolium dibromide oxime .

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