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| Name |
Penoctonium bromide |
EINECS | N/A |
| CAS No. | 17088-72-1 | Density | g/cm3 |
| PSA | 26.30000 | LogP | 3.74730 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C26H50 N O2 . Br | Boiling Point | °Cat760mmHg |
| Molecular Weight | 488.68 | Flash Point | °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by subcutaneous, intravenous, and intraperitoneal routes. Moderately toxic by ingestion. An eye irritant. When heated to decomposition it emits toxic fumes of Br− and NOx. See also BROMIDES. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1-Octanaminium,N-[2-[(dicyclopentylacetyl)oxy]ethyl]-N,N-diethyl-, bromide (9CI); Ammonium,diethyl(2-hydroxyethyl)octyl-, bromide, dicyclopentylacetate (8CI);Diethyl(2-hydroxyethyl)octylammonium bromide, dicyclopentylacetate (6CI,7CI);Penoctonium bromide; UG 767 |
Penoctonium bromide Chemical Properties
Product Name: Penoctonium bromide (CAS NO.17088-72-1)
Molecular Formula: C26H50BrNO2
Molecular Weight: 488.5847g/mol
Mol File: 17088-72-1.mol
H-Bond Donor: 0
H-Bond Acceptor: 3
Structure Descriptors of Penoctonium bromide (CAS NO.17088-72-1):
IUPAC Name: 2-(2,2-dicyclopentylacetyl)oxyethyl-diethyl-octylazanium bromide
Canonical SMILES: CCCCCCCC[N+](CC)(CC)CCOC(=O)C(C1CCCC1)C2CCCC2.[Br-]
InChI: InChI=1S/C26H50NO2.BrH/c1-4-7-8-9-10-15-20-27(5-2,6-3)21-22-29-26(28)25(23-16-11-12-17-23)24-18-13-14-19-24;/h23-25H,4-22H2,1-3H3;1H/q+1;/p-1
InChIKey: DWUPDLOTOYWYQT-UHFFFAOYSA-M
Penoctonium bromide Toxicity Data With Reference
| 1. | eye-rbt 1% | ARZNAD Arzneimittel-Forschung. Drug Research. 18 (1968),137. | ||
| 2. | orl-rat LD50:1200 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 18 (1968),137. | ||
| 3. | ivn-rat LD50:19 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 18 (1968),137. | ||
| 4. | orl-mus LD50:900 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 18 (1968),137. | ||
| 5. | ipr-mus LD50:26 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 18 (1968),137. | ||
| 6. | scu-mus LD50:60 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 18 (1968),137. | ||
| 7. | ivn-mus LD50:20 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 18 (1968),137. |
Penoctonium bromide Safety Profile
Poison by subcutaneous, intravenous, and intraperitoneal routes. Moderately toxic by ingestion. An eye irritant. When heated to decomposition it emits toxic fumes of Br− and NOx. See also BROMIDES.
Penoctonium bromide Specification
Penoctonium bromide , its CAS NO. is 17088-72-1, the synonyms are Penoctonium ; Bromure de penoctonium ; Bromuro de penoctonio ; NSC 78884 ; Penoctonii bromidum ; UG 767 ; UNII-HF11NTT6MZ ; alpha,alpha-Dicyclopentyl-acetic acid-diethylamino-ethylester bromoctylate ; alpha,alpha-Dicyclopentylessigsaure-diaethylamino-aethylester-bromoctylat ; 1-Octanaminium, N-(2-((dicyclopentylacetyl)oxy)ethyl)-N,N-diethyl-, bromide (9CI) ; Ammonium, diethyl(2-hydroxyethyl)octyl-, bromide, dicyclopentylacetate ; Diethyl(2-hydroxyethyl)octyl ammonium bromide dicyclopentylacetate .
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