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(S) -Lercanidipine D3

CAT: 1299-RM-L050342-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-L050342-01Size:10 mg
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CAS Number
1217976-81-2
Synonyms
3- (1- ((3,3-diphenylpropyl) (methyl-d3) amino) -2-methylpropan-2-yl) 5-methyl (S) -2,6-dimethyl-4- (3-nitrophenyl) -1,4-dihydropyridine-3,5-dicarboxylate
Molecular Formula
C36H38D3N3O6
Molecular Weight
614.76
Target Alternative Name
Lercanidipine
Product Name Synonym
3- (1- ((3,3-diphenylpropyl) (methyl-d3) amino) -2-methylpropan-2-yl) 5-methyl (S) -2,6-dimethyl-4- (3-nitrophenyl) -1,4-dihydropyridine-3,5-dicarboxylate

Chemical Information

(S)-Lercanidipine D3
CAS Number1217976-81-2
PubChem CID46782048
IUPAC Name5-O-[1-[3,3-diphenylpropyl(trideuteriomethyl)amino]-2-methylpropan-2-yl] 3-O-methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Molecular FormulaC36H41N3O6
Molecular Weight614.7
XLogP6.9
Topological Polar Surface Area114
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Heavy Atom Count45
Formal Charge0
Complexity1090
SMILES
[2H]C([2H])([2H])N(CCC(C1=CC=CC=C1)C2=CC=CC=C2)CC(C)(C)OC(=O)C3=C(NC(=C([C@@H]3C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC)C)C
InChI
InChI=1S/C36H41N3O6/c1-24-31(34(40)44-6)33(28-18-13-19-29(22-28)39(42)43)32(25(2)37-24)35(41)45-36(3,4)23-38(5)21-20-30(26-14-9-7-10-15-26)27-16-11-8-12-17-27/h7-19,22,30,33,37H,20-21,23H2,1-6H3/t33-/m0/s1/i5D3
InChIKey
ZDXUKAKRHYTAKV-ZLBQFJETSA-N
Chemical Structure
2D Structure
2D structure of (S)-Lercanidipine D3
CAS: 1217976-81-2
CID: 46782048
Formula: C36H41N3O6
MW: 614.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight614.7
XLogP36.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Exact Mass614.31836627
Monoisotopic Mass614.31836627
Topological Polar Surface Area114 Ų
Heavy Atom Count45
Formal Charge0
Complexity1090
Isotope Atom Count3
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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