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| CAS No.: | 78186-39-7 |
|---|---|
| Name: | 2-(3-(4-Formylpyridinio)propyl)isoquinolium dibromide oxime |
| Molecular Structure: | |
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|
|
| Formula: | C18H19 N3 O . 2 Br |
| Molecular Weight: | 453.176 |
| Synonyms: | 2-(3-Bromopropyl)isoquinoliniumbromide, quaternary compd. with isonicotinaldehyde oxime (6CI);Isoquinolinium,2-[3-[4-[(hydroxyimino)methyl]pyridinio]propyl]-, dibromide (9CI); |
| Melting Point: | 215-216 °C |
| Safety: | A poison by subcutaneous route. When heated to decomposition it emits toxic vapors of NOx and Br−. |
| PSA: | 38.24000 |
| LogP: | 0.76670 |
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Chemistry
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:
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. |
Safety Profile
A poison by subcutaneous route. When heated to decomposition it emits toxic vapors of NOx and Br−.
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 .