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Phthaloyl Amlodipine

CAT: 0572-TRC-P389900-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P389900-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
88150-62-3
Synonyms
3-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-dicarboxylate; Amlodipine Besilate Imp. A (EP); Amlodipine Imp. A (EP); Amlodipine USP Related Compound D; Amlodipine USP RC D; 3-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-dicarboxylate; Phthaloyl Amlodipine; Amlodipine Related Compound D; Amlodipine Besilate Impurity A; Amlodipine Impurity A
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
CCOC(=O)C1=C(COCCN2C(=O)c3ccccc3C2=O)NC(=C(C1c4ccccc4Cl)C(=O)OC)C
Molecular Formula
C28 H27 Cl N2 O7
Molecular Weight
538.98
InChI
InChI=1S/C28H27ClN2O7/c1-4-38-28(35)24-21(15-37-14-13-31-25(32)17-9-5-6-10-18(17)26(31)33)30-16(2)22(27(34)36-3)23(24)19-11-7-8-12-20(19)29/h5-12,23,30H,4,13-15H2,1-3H3
Additionnal Information
IUPAC name: 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
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Phthalimidoamlodipine
CAS Number88150-62-3
PubChem CID9871958
IUPAC Name3-O-ethyl 5-O-methyl 4-(2-chlorophenyl)-2-[2-(1,3-dioxoisoindol-2-yl)ethoxymethyl]-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
Molecular FormulaC28H27ClN2O7
Molecular Weight539.0
XLogP4.6
Topological Polar Surface Area111
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Heavy Atom Count38
Formal Charge0
Complexity999
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C28H27ClN2O7/c1-4-38-28(35)24-21(15-37-14-13-31-25(32)17-9-5-6-10-18(17)26(31)33)30-16(2)22(27(34)36-3)23(24)19-11-7-8-12-20(19)29/h5-12,23,30H,4,13-15H2,1-3H3
InChIKey
AHHPZGUFLGCZCF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phthalimidoamlodipine
CAS: 88150-62-3
CID: 9871958
Formula: C28H27ClN2O7
MW: 539.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight539.0
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Exact Mass538.1506789
Monoisotopic Mass538.1506789
Topological Polar Surface Area111 Ų
Heavy Atom Count38
Formal Charge0
Complexity999
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes