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Amlodipine aspartic acid impurity

CAT: 0013-GTR19221817-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19221817-01Size:100 mg
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Description
Amlodipine aspartic acid is a calcium channel blocker used in research for its antihypertensive and antianginal properties. This product includes its specific impurity and is applied in cardiovascular studies, supporting in vitro and in vivo pharmacological experiments.
CAS Number
400602-35-9
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
O=C (OC) C1=C (NC (=C (C (=O) OCC) C1C=2C=CC=CC2Cl) COCCNC (C (=O) O) CC (=O) O) C
Molecular Formula
C24H29ClN2O9
Molecular Weight
524.95
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Amlodipine aspartic acid impurity
CAS Number400602-35-9
PubChem CID9914790
IUPAC Name2-[2-[[4-(2-chlorophenyl)-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-1,4-dihydropyridin-2-yl]methoxy]ethylamino]butanedioic acid
Molecular FormulaC24H29ClN2O9
Molecular Weight524.9
XLogP0.4
Topological Polar Surface Area160
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count15
Heavy Atom Count36
Formal Charge0
Complexity902
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCNC(CC(=O)O)C(=O)O
InChI
InChI=1S/C24H29ClN2O9/c1-4-36-24(33)21-17(12-35-10-9-26-16(22(30)31)11-18(28)29)27-13(2)19(23(32)34-3)20(21)14-7-5-6-8-15(14)25/h5-8,16,20,26-27H,4,9-12H2,1-3H3,(H,28,29)(H,30,31)
InChIKey
OWGHROPUZICLBA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Amlodipine aspartic acid impurity
CAS: 400602-35-9
CID: 9914790
Formula: C24H29ClN2O9
MW: 524.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight524.9
XLogP30.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count15
Exact Mass524.1561582
Monoisotopic Mass524.1561582
Topological Polar Surface Area160 Ų
Heavy Atom Count36
Formal Charge0
Complexity902
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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