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Lercanidipine-d3

CAT: 0572-TRC-L179007-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-L179007-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1190043-34-5
Synonyms
1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic Acid 2-[(3,3-Diphenylpropyl)methyl-d3-amino]-1,1-dimethylethyl Methyl Ester; Masnidipine-d3; Zanidip-d3
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
O=C(OC(C)(C)CN(C([2H])([2H])[2H])CCC(C1=CC=CC=C1)C2=CC=CC=C2)C3=C(C)NC(C)=C(C(OC)=O)C3C4=CC=CC([N+]([O-])=O)=C4
Molecular Formula
C36H38D3N3O6
Molecular Weight
614.75
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Lercanidipine-d3
CAS Number1190043-34-5
PubChem CID46782044
IUPAC Name5-O-[1-[3,3-diphenylpropyl(trideuteriomethyl)amino]-2-methylpropan-2-yl] 3-O-methyl 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(C3C4=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/i5D3
InChIKey
ZDXUKAKRHYTAKV-VPYROQPTSA-N
Chemical Structure
2D Structure
2D structure of Lercanidipine-d3
CAS: 1190043-34-5
CID: 46782044
Formula: C36H41N3O6
MW: 614.7
Interactive 3D Structure
Loading 3D structure...
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 Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes