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Felodipine-d5

CAT: 1596-AR-F01249-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-F01249-01Size:10 Units
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CAS Number
1242281-38-4
Synonyms
3-ethyl 5-methyl 4- (2,3-dichlorophenyl) -2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate-D5; 3-ethyl 5-methyl 4- (2,3-dichlorophenyl) -2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate-D5; 4- (2,3-Dichlorophenyl) -1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylic Acid Ethyl Methyl Ester-D5; Feloday-D5; Flodil
Molecular Formula
C18H14D5Cl2NO4
Molecular Weight
389.29
API Name
Felodipine

Chemical Information

Felodipine-d5
CAS Number1242281-38-4
PubChem CID76973808
IUPAC Name3-O-methyl 5-O-(1,1,2,2,2-pentadeuterioethyl) 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Molecular FormulaC18H19Cl2NO4
Molecular Weight389.3
XLogP3.9
Topological Polar Surface Area64.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity614
SMILES
[2H]C([2H])([2H])C([2H])([2H])OC(=O)C1=C(NC(=C(C1C2=C(C(=CC=C2)Cl)Cl)C(=O)OC)C)C
InChI
InChI=1S/C18H19Cl2NO4/c1-5-25-18(23)14-10(3)21-9(2)13(17(22)24-4)15(14)11-7-6-8-12(19)16(11)20/h6-8,15,21H,5H2,1-4H3/i1D3,5D2
InChIKey
RZTAMFZIAATZDJ-RPIBLTHZSA-N
Chemical Structure
2D Structure
2D structure of Felodipine-d5
CAS: 1242281-38-4
CID: 76973808
Formula: C18H19Cl2NO4
MW: 389.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight389.3
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass388.1004972
Monoisotopic Mass388.1004972
Topological Polar Surface Area64.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity614
Isotope Atom Count5
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes