Phthalimidoamlodipine

HCID 9871958CAS 88150-62-3

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Grundinformationen

Standard-SMILES: CCOC(=O)C1=C(COCCN2C(=O)c3ccccc3C2=O)NC(C)=C(C(=O)OC)C1c1ccccc1Cl
InChIKey: AHHPZGUFLGCZCF-UHFFFAOYSA-N
Summenformel: C28H27ClN2O7
Durchschnittliche Molmasse: 539 g/mol
Monoisotopische Masse: 538,15067888

Namen und Bezeichner

Bevorzugter Name: Phthalimidoamlodipine
IUPAC: 3-O-ethyl 5-O-methyl 4-(2-chlorophenyl)-2-[2-(1,3-dioxoisoindol-2-yl)ethoxymethyl]-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
Englischer Name: Phthaloyl amlodipine
Summenformel: C28H27ClN2O7
Molmasse: 538.98

Namen und Synonyme

88150-62-3phthalimidoamlodipinePhthaloylamlodipineAmlodipine besilate impurity A9QAO5CRP93DTXSID30893841UNII-9QAO5CRP933,5-Pyridinedicarboxylic acid, 4-(2-chlorophenyl)-2-((2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethoxy)methyl)-1,4-dihydro-6-methyl-, 3-ethyl 5-methyl esterAmlodipine besilate impurity A [EP]EC 413-410-33-Ethyl 5-methyl (4RS)-4-(2-chlorophenyl)-2-((2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethoxy)methyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate4-(2-Chloroethyl)-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-2-((2-phthalimidoethoxy)methyl)-1,4-dihydropyridine

Weitere Namen anzeigen

AMlodipine EP IMpurity A3-ethyl 5-methyl 4-(2-chlorophenyl)-2-((2-(1,3-dioxoisoindolin-2-yl)ethoxy)methyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate3,5-Pyridinedicarboxylicacid,4-(2-chlorophenyl)-2-[[2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethoxy]Methyl]-1,4-dihydro-6-Methyl-,3-ethyl 5-Methyl esterAmlodipine-1Amlodipine imineAmlodipine EP Imp APHTHALOYL AMLODIPINEAmlodipine PhthalimideAmlodipine Impurity VI

4-(2-Chlorophenyl)-3-(ethoxycarbonyl)-5-(methoxycarbonyl)-6-methyl-2-((2-phthalimidoethoxy)methyl)-1,4-dihydropyridineAMLODIPINE BESILATE IMPURITY A [EP IMPURITY]3,5-Pyridinedicarboxylic acid, 4-(2-chlorophenyl)-2-[[2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethoxy]methyl]-1,4-dihydro-6-methyl-, 3-ethyl 5-methyl esterAMLODIPINE BESILATE IMPURITY A (EP IMPURITY)3, 5-Pyridinedicarboxylic acid, 4-(2-chlorophenyl)-2-((2-(1, 3-dihydro-1, 3-dioxo-2H-isoindol-2-yl) ethoxy)methyl)-1, 4-dihydro-6-methyl-, 3-ethyl 5-methyl ester3, 5-Pyridinedicarboxylic acid, 4-(2-chlorophenyl)-2-[[2-(1, 3-dihydro-1, 3-dioxo-2H-isoindol-2-yl) ethoxy]methyl]-1, 4-dihydro-6-methyl-, 3-ethyl 5-methyl ester3-Ethyl 5-Methyl (4RS)-4-(2-Chlorophenyl)-2-[[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethoxy]methyl]-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate3-ethyl-5-methyl-2-((2-phthalamidoethoxy)methyl)-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylate

Datenbank-Bezeichner

CAS: 88150-62-3
PubChem CID: 9871958
DTXSID: DTXSID30893841
ChEMBL: CHEMBL295696
UNII: 9QAO5CRP93
EC Number: 413-410-3、618-121-8
Nikkaji: J1.078.255D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,6
Polarare Oberfläche (TPSA): 111 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 8
Frei drehbare Bindungen: 11
Schwere Atome: 38
Formalladung: 0
Komplexität: 999

Physikochemische Eigenschaften

Schmelzpunkt: 140 · 140-145°C
Siedepunkt: 654.1 · 654.1±55.0 °C(Predicted)
Dichte: 1.321 · 1.321±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: DMSO (Slightly), Methanol (Slightly, Heated and Sonicated)
pka: 2.06 · 2.06±0.70(Predicted)
Farbe: Pale Yellow to Light Yellow
PH: 6.78 at · 6.78 at 20.4℃ and 10g/L
Major Application: pharmaceutical (small molecule)
InChIKey: AHHPZGUFLGCZCF-UHFFFAOYSA-N
SMILES: C1(COCCN2C(=O)C3=C(C2=O)C=CC=C3)NC(C)=C(C(OC)=O)C(C2=CC=CC=C2Cl)C=1C(OCC)=O
LogP: 4.9 at · 4.9 at 30℃ and pH6.79
CAS Datenbank: 88150 · 88150-62-3(CAS DataBase Reference)