HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Hexahydro-1-methyl-4-phenyl-1H-azepin-4-carbonsäure-ethylester
Wy-401 · Aethoheptazin · ethoheptazine · Ethyl heptazine · WGJHHMKQBWSQIY-UHFFFAOYSA-N · 4-Ethoxycarbonyl-1-methyl-4-phenylhexahydro-1H-azepine · Hexahydro-1-methyl-4-phenyl-1H-azepine-4-carboxylic acid ethyl · 1H-Azepine-4-carboxylicacid, hexahydro-1-methyl-4-phenyl-, ethyl ester
Identifikatoren & physikalische Daten
| CAS No. | 77-15-6 |
|---|---|
| Summenformel | C16H23NO2 |
| Durchschnittliche Molmasse | 261,36 g/mol |
| Monoisotopische Masse | 261,17287898 g/mol |
| SMILES | CCOC(=O)C1(c2ccccc2)CCCN(C)CC1 |
| InChIKey | WGJHHMKQBWSQIY-UHFFFAOYSA-N |
| PubChem CID | 6469 |
| ChEMBL | CHEMBL170797 |
| ChEBI | CHEBI:135074 |
| EC No. | 201-007-3 |
| DTXSID | DTXSID7023017 |
| Lokaler Name | Hexahydro-1-methyl-4-phenyl-1H-azepin-4-carbonsäure-ethylester |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 19 |
| Formalladung | 0 |
| Komplexität | 299 |
| Dichte | 1.038 @ 26 °C/4 °Cd426 1.038 |
| Color/Form | LIQUID |
| Human Drugs | Pharmaceuticals |
| Siedepunkt | 127-129 °C/0.5 MM HGbp1 133-134°bp0.5 127-129°bp0.3 128-130° |
| Schmelzpunkt | 122-12425°C |
| Brechungsindex | INDEX OF REFRACTION: 1.5210 @ 26 °C/D1.5220 @ 28 °C/DnD26 1.5210nD28 1.5220 |
| Other Experimental Properties | PH (1 IN 100 SOLN) BETWEEN 3.5 & 4.5MELTS WITHIN A 3 DEG RANGE BETWEEN 135 DEG & 145 °C /CITRATE/RECRYSTALLIZED FORM ETHYL ACETATE + ETHERMP 151-153 °C /HCL/CRYSTALS FROM ETHER /METHOBROMIDE/ |
| pKa (Säurekonstante) | pKa 8.45 (Uncertain) |
Sicherheit & Vorschriften
| Human Toxicity Excerpts | NAUSEA, VOMITING, EPIGASTRIC DISTRESS, DIZZINESS, & PRURITUS HAVE BEEN OBSERVED....EFFECTS THAT MAY OCCUR AFTER THERAPEUTIC DOSES...INCL DIZZINESS, SWEATING, EUPHORIA, DRY MOUTH, NAUSEA, VOMITING, WEAKNESS, VISUAL DISTURBANCES, PALPITATION, DYSPHORIA, SYNCOPE & SEDATION. INCIDENCE & SEVERITY OF THESE RESPONSES ARE GREATER IN AMBULATORY PT THAN.../BED PT/. /MEPERIDINE/OVERALL INCIDENCE OF INDIVIDUAL SIDE EFFECTS IS QUITE SIMILAR TO THAT OBSERVED AFTER EQUIANALGESIC DOSES OF MORPHINE, EXCEPT THAT CONSTIPATION & URINARY RETENTION DO NOT OCCUR AS FREQUENTLY AFTER MEPERIDINE. /MEPERIDINE/IN ADDICTS TOLERANT TO DEPRESSANT EFFECTS OF MEPERIDINE, LARGE DOSES REPEATED @ SHORT INTERVALS PRODUCE TREMORS, MUSCLE TWITCHES, DILATED PUPILS, HYPERACTIVE REFLEXES, & CONVULSIONS. /MEPERIDINE/For more Human Toxicity Excerpts (Complete) data for ETHOHEPTAZINE (7 total), please visit the HSDB record page. |
|---|---|
| Gefahrstoffdaten | 77-15-6(Hazardous Substances Data) |
Anwendungen & Verwendung
Verwenden
Medicine (analgesic).