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Milchsure, Verbindung mit 5-(3,4,5-Trimethoxybenzyl)pyrimidin-2,4-diamin (1:1)
TRIMETHOPRIM LACTATE · Lactic triMethopriM · TRIMETHOPRIM LACTIC ACID · Lactic acid trimethoprim · TRIMETHOPRIM LACTATE SALT · 5-(3,4,5-Trimethoxybenzyl) · Trimethylolpropane lactate · Trimethoprim lactate, >=99%
Identifikatoren & physikalische Daten
| CAS No. | 23256-42-0 |
|---|---|
| Summenformel | C17H24N4O6 |
| Durchschnittliche Molmasse | 380,4 g/mol |
| SMILES | CC(O)C(=O)O.COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC |
| InChIKey | IIZVTUWSIKTFKO-UHFFFAOYSA-N |
| PubChem CID | 3084396 |
| ChEMBL | CHEMBL1430611 |
| EC No. | 245-533-1 |
| DTXSID | DTXSID00945947 |
| Lokaler Name | Milchsure, Verbindung mit 5-(3,4,5-Trimethoxybenzyl)pyrimidin-2,4-diamin (1:1) |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 163 |
|---|---|
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 10 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 27 |
| Formalladung | 0 |
| Komplexität | 366 |
| Löslichkeit | >57.1 [ug/mL] (The mean of the results at pH 7.4)H2O: soluble20mg/mLSoluble in water |
| Schmelzpunkt | 170 - 172°C |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,2-8°C |
| Aggregatzustand | powder |
| Farbe | white |
| InChI | InChI=1S/C14H18N4O3.C3H6O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)151-2(4)3(5)6/h5-7H,4H2,1-3H3,(H4,15,16,17,18)2,4H,1H3,(H,5,6) |
| InChIKey | IIZVTUWSIKTFKO-UHFFFAOYSA-N |
| SMILES | C(O)(C)C(=O)O.C(C1=CN=C(N)N=C1N)C1C=C(OC)C(OC)=C(OC)C=1 |
| CAS Datenbank | 23256-42-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 40% (2 of 5) of reports.DangerH301 (40%): Toxic if swallowed [Danger Acute toxicity, oral]P203, P261, P262, P264, P270, P271, P272, P280, P301+P316, P301+P317, P302+P352, P304+P340, P316, P317, P318, P321, P330, P333+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Trimethoprim lactate: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 3 (40%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2811 |
| R-Sätze (R) | 23/24/25-43-61 |
| Gefahrensymbole | T |
| Sicherheitshinweise (S) | 22-36/37/39-45-53 |
| Gefahrenklasse | 6.1(b)Acute Tox. 3 OralRepr. 2 |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
Trimethoprim lactate salt is an antibacterial agent.