Dimethyl 2-((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

HCID 11200267CAS 140171-66-0

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Grundinformationen

Standard-SMILES: COC(=O)C1=C(C)NC(COCCN)=C(C(=O)OC)C1c1ccccc1Cl
InChIKey: UDSAEMGNQXMCDF-UHFFFAOYSA-N
Summenformel: C19H23ClN2O5
Durchschnittliche Molmasse: 394,8 g/mol
Monoisotopische Masse: 394,12954952

Namen und Bezeichner

Bevorzugter Name: Dimethyl 2-((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC: dimethyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
Englischer Name: Amlodipine Dimethyl Ester
Summenformel: C19H23ClN2O5
Molmasse: 394.85

Namen und Synonyme

Dimethyl 2-((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate5TQ5PD1804Dimethyl (4RS)-2-((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylateDimethyl (4RS)-2-[(2-Aminoethoxy)methyl]-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylateAMLODIPINE BESILATE IMPURITY F [EP IMPURITY]3,5-Dimethyl 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylateAMLODIPINE BESILATE IMPURITY F (EP IMPURITY)3,5-Dimethyl 2-((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylateRefChem:588144958-278-2140171-66-0Amlodipine Dimethyl Ester

Weitere Namen anzeigen

Amlodipine Related Compound FAmlodipine-6Amlodipine Imp FAmlodipine EP Imp FAmlodipine USP RC FAMlodipine IMpurity F(EP)Amlodipine impurities1738

Amlodipine EP Impurity FAmlodipine besilate impurity F3,5-Pyridinedicarboxylic acid, 2-((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-, 3,5-dimethyl esterDimethyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate(+/-)-3,5-Pyridinedicarboxylic acid, 2-((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-, dimethyl ester2-((2-Aminoethoxy)methyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester3,5-Pyridinedicarboxylic acid, 2-((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-, dimethyl esterDimethyl2-((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

Datenbank-Bezeichner

CAS: 140171-66-0
PubChem CID: 11200267
DTXSID: DTXSID301111409
UNII: 5TQ5PD1804
EC Number: 958-278-2
Nikkaji: J455.172I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 99,9 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 7
Frei drehbare Bindungen: 9
Schwere Atome: 27
Formalladung: 0
Komplexität: 632

Physikochemische Eigenschaften

Schmelzpunkt: 42 · 42-45°C
Siedepunkt: 516.6 · 516.6±50.0 °C(Predicted)
Dichte: 1.247 · 1.247±0.06 g/cm3(Predicted)
storage temp.: Hygroscopic, Refrigerator, Under inert atmosphere
Löslichkeit: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 8.97 · 8.97±0.10(Predicted)
Farbe: Pale Yellow to Yellow
Stabilität: Hygroscopic
InChI: 1S/C19H23ClN2O5/c1-11-15(18(23)25-2)16(12-6-4-5-7-13(12)20)17(19(24)26-3)14(22-11)10-27-9-8-21/h4-7,16,22H,8-10,21H2,1-3H3
InChIKey: UDSAEMGNQXMCDF-UHFFFAOYSA-N
SMILES: Clc1c(cccc1)C2C(=C(NC(=C2C(=O)OC)C)COCCN)C(=O)OC

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P264, P264+P265, P270, P273, P280, P301+P316, P305+P354+P338, P317, P319, P321, P330, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 17 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Sicherheitsdaten

wgk: WGK 3
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1STOT RE 2