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Amlodipine Dimethyl Ester

CAT: 0572-TRC-A633560-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A633560-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
140171-66-0
Synonyms
Amlodipine Besilate Imp. F (EP); Amlodipine Imp. F (EP); Dimethyl (4RS)-2-[(2-Aminoethoxy)methyl]-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate; Amlodipine Related Compound F; Amlodipine Besilate Impurity F; Amlodipine Impurity F
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
COC(=O)C1=C(C)NC(=C(C1c2ccccc2Cl)C(=O)OC)COCCN
Molecular Formula
C19 H23 Cl N2 O5
Molecular Weight
394.85
InChI
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
Additionnal Information
IUPAC name: dimethyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Dimethyl 2-((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
CAS Number140171-66-0
PubChem CID11200267
IUPAC Namedimethyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
Molecular FormulaC19H23ClN2O5
Molecular Weight394.8
XLogP2.6
Topological Polar Surface Area99.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count27
Formal Charge0
Complexity632
SMILES
CC1=C(C(C(=C(N1)COCCN)C(=O)OC)C2=CC=CC=C2Cl)C(=O)OC
InChI
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
Chemical Structure
2D Structure
2D structure of Dimethyl 2-((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
CAS: 140171-66-0
CID: 11200267
Formula: C19H23ClN2O5
MW: 394.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight394.8
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass394.1295495
Monoisotopic Mass394.1295495
Topological Polar Surface Area99.9 Ų
Heavy Atom Count27
Formal Charge0
Complexity632
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

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