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Manidipine dihydrochloride
Manidipine DiHCl · Calslot · CV 4093 · CV-4093(2HCl) · cv-4093dihydrochlorde · Manidipine DihydrochL · Hydrochloric Manidipine · franidipinehydrochloride
Identifikatoren & physikalische Daten
| CAS No. | 89226-75-5 |
|---|---|
| Summenformel | C35H40Cl2N4O6 |
| Durchschnittliche Molmasse | 683,6 g/mol |
| Monoisotopische Masse | 682,23249036 g/mol |
| SMILES | COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1.Cl.Cl |
| InChIKey | JINNGBXKBDUGQT-UHFFFAOYSA-N |
| PubChem CID | 150762 |
| ChEMBL | CHEMBL2362693 |
| ChEBI | CHEBI:31800 |
| EC No. | 680-304-3 |
| DTXSID | DTXSID9020796 |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 117 |
|---|---|
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 9 |
| Frei drehbare Bindungen | 11 |
| Schwere Atome | 47 |
| Formalladung | 0 |
| Komplexität | 1.090 |
| Schmelzpunkt | 157-163°mp 174-180°mp 167-170° |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Löslichkeit | Soluble in DMSO (>25 mg/ml)Soluble in DMSO. Slightly soluble in water and ethanol /n |
| Aggregatzustand | solid |
| Farbe | White |
| Merck | 14,5743 |
| Stabilität | Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 3 months. |
| InChIKey | UFIXGLLGFBWKAV-UHFFFAOYSA-N |
| SMILES | C1(C)NC(C)=C(C(OCCN2CCN(C(C3=CC=CC=C3)C3=CC=CC=C3)CC2)=O)C(C2=CC=CC([N+]([O-])=O)=C2)C=1C(OC)=O.[H]Cl |
| CAS Datenbank | 89226-75-5(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 16.7% (1 of 6) of reports.DangerH301+H311+H331 (16.7%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P203, P260, P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P318, P319, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (83.3%) |
| UN-Transportnummer | UN 2811 6.1/PG III |
| Zollcode | 2933.59.8000 |
| RTECS-Nr. | US7975300 |
| Toxizität | LD50 in male, female mice, male, female rats (mg/kg): 387, 340, 222, 199 s.c.62.2, 68.0, 66.5, 48.8 i.p.190, 171, 247, 156 orally (Chiba) |
| Gefahrenklasse | 6.1 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
aldosterone antagonist