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Isopropamidiodid
ISOPROPAMIDE · r79 · darbid · 5579md · isamid · skf4740 · dipramid · priamide
Identifikatoren & physikalische Daten
| CAS No. | 71-81-8 |
|---|---|
| Summenformel | C23H33IN2O |
| Durchschnittliche Molmasse | 480,4 g/mol |
| Monoisotopische Masse | 480,16376 g/mol |
| SMILES | CC(C)[N+](C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)C(C)C.[I-] |
| InChIKey | BFSMWENDZZIWPW-UHFFFAOYSA-N |
| PubChem CID | 6284 |
| ChEMBL | CHEMBL1200347 |
| ChEBI | CHEBI:6044 |
| EC No. | 200-766-8 |
| DTXSID | DTXSID30221221 |
| Lokaler Name | Isopropamidiodid |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 43,1 |
|---|---|
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 8 |
| Schwere Atome | 27 |
| Formalladung | 0 |
| Komplexität | 419 |
| Human Drugs | FDA approved drugs -> Active ingredient |
| Animal Drugs | FDA approved animal drugs -> Active ingredient |
| Collision Cross Section | 186.9 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| Schmelzpunkt | 199℃ (Decomposition) |
| Dichte | 1.2711 (estimate) |
| Lagerbedingungen | Store at -20°C |
| Löslichkeit | Practically insoluble in waterDMSO: 250 mg/mL (520.37 mM) |
| Aggregatzustand | powder to crystal |
| Farbe | White to Almost white |
| Merck | 14,5202 |
| Hauptanwendungen | pharmaceutical (small molecule) |
| InChI | 1S/C23H33N2O.HI/c1-18(2)25(5,19(3)4)17-16-23(22(24)26,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3,(H2,24,26)1H |
| InChIKey | ZTDSVARXIUOODA-UHFFFAOYSA-N |
| SMILES | I.CC(C)[N](C)(CCC(C(N)=O)(c1ccccc1)c2ccccc2)C(C)C |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 51 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Benzenepropanaminium, .gamma.-(aminocarbonyl)-N-methyl-N,N-bis(1-methylethyl)-.gamma.-phenyl-, iodide: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Benzenepropanaminium, .gamma.-(aminocarbonyl)-N-methyl-N,N-bis(1-methylethyl)-.gamma.-phenyl-, iodide: Environment tier I assessment |
| Hazard Classes and Categories | Skin Irrit. 2 (98%) |
| Wassergefährdungsklasse (WGK) | 2 |
| Zollcode | 2924296000 |
| RTECS-Nr. | BP0693200 |
| R-Sätze (R) | 36/37/38 |
| Toxizität | LD50 oral in rat: > 10gm/kg |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Isopropamide Iodide acts as an anticholinergic compound with inhibitory activity. Also acts as a muscarinic receptor antagonist which can be applied to treatment of diseases affecting cognition including Alzheimer’s disease.
Verwenden
Isopropamide inhibits muscarinic action of acetylcholine on postganglionic parasympathetic effector regions. It is used for treating stomach ulcers and inflamed intestine.