-
Name
2-(3-(4-Formylpyridinio)propyl)isoquinolium dibromide oxime
- EINECS
- CAS No. 78186-39-7
- Density
- Solubility
- Melting Point 215-216 °C
- Formula C18H19 N3 O . 2 Br
- Boiling Point
- Molecular Weight 453.176
- Flash Point
- Transport Information
- Appearance
- Safety A poison by subcutaneous route. When heated to decomposition it emits toxic vapors of NOx and Br−.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 2-(3-Bromopropyl)isoquinoliniumbromide, quaternary compd. with isonicotinaldehyde oxime (6CI);Isoquinolinium,2-[3-[4-[(hydroxyimino)methyl]pyridinio]propyl]-, dibromide (9CI);
- PSA 38.24000
- LogP 0.76670
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 .
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View