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Acexaminsure
Acexamic Acid · AACA · CY 153 · AceMin · Plastenan · Acetaminocaproic acid · 6-Acetamidocaproic acid · e-Acetamidocaproic Acid
Identifikatoren & physikalische Daten
| CAS No. | 57-08-9 |
|---|---|
| Summenformel | C8H15NO3 |
| Durchschnittliche Molmasse | 173,21 g/mol |
| Monoisotopische Masse | 173,10519334 g/mol |
| SMILES | CC(=O)NCCCCCC(=O)O |
| InChIKey | WDSCBUNMANHPFH-UHFFFAOYSA-N |
| PubChem CID | 2005 |
| ChEMBL | CHEMBL2105922 |
| ChEBI | CHEBI:134808 |
| EC No. | 200-310-8 |
| DTXSID | DTXSID1045879 |
| Lokaler Name | Acexaminsure |
Chemische & physikalische Eigenschaften
| XLogP | 0,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 66,4 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 156 |
| Collision Cross Section | 141.4 Ų [M+Na]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| Schmelzpunkt | 102-104 °C(lit.) |
| Siedepunkt | 303.86°C (rough estimate) |
| Dichte | 1.1599 (rough estimate) |
| Brechungsindex | 1.4590 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Sparingly), Methanol (Slightly) |
| pKa (Säurekonstante) | 4.75±0.10(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| Merck | 14,45 |
| Kosmetik-Inhaltsstoffe Funktionen | ANTIOXIDANT |
| InChI | InChI=1S/C8H15NO3/c1-7(10)9-6-4-2-3-5-8(11)12/h2-6H2,1H3,(H,9,10)(H,11,12) |
| InChIKey | WDSCBUNMANHPFH-UHFFFAOYSA-N |
| SMILES | C(O)(=O)CCCCCNC(C)=O |
| LogP (Verteilungskoeffizient) | -0.500 (est) |
| CAS Datenbank | 57-08-9(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 50% (2 of 4) of reports.DangerH315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 2 of 4 reports by companies.There are 2 notifications provided by 2 of 4 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Chemical: Hexanoic acid, 6-(acetylamino)-Status: Active Update: 07-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/30101 |
| Hazard Classes and Categories | Skin Irrit. 2 (50%)Eye Dam. 1 (50%)STOT SE 3 (50%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29241900 |
| Sicherheitshinweise (S) | 24/25 |
Anwendungen & Verwendung
Verwenden
6-Acetamidohexanoic acid is used after oral administration of an antiulcer agent, zinc acexamate (ZAC) for treatment of gastric ulcer or small bowel inflammation.