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Lercanidipine Impurity 60

CAT: 1299-RM-L050360-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-L050360-01Size:10 mg
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CAS Number
320750-11-6
Synonyms
3- (1- ((3,3-diphenylpropyl) amino) -2-methylpropan-2-yl) 5-methyl 2,6-dimethyl-4- (3-nitrophenyl) -1,4-dihydropyridine-3,5-dicarboxylate
Molecular Formula
C35H39N3O6
Molecular Weight
597.71
Target Alternative Name
Lercanidipine
Product Name Synonym
3- (1- ((3,3-diphenylpropyl) amino) -2-methylpropan-2-yl) 5-methyl 2,6-dimethyl-4- (3-nitrophenyl) -1,4-dihydropyridine-3,5-dicarboxylate

Chemical Information

5-O-[1-(3,3-diphenylpropylamino)-2-methylpropan-2-yl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CAS Number320750-11-6
PubChem CID10699260
IUPAC Name5-O-[1-(3,3-diphenylpropylamino)-2-methylpropan-2-yl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Molecular FormulaC35H39N3O6
Molecular Weight597.7
XLogP6.5
Topological Polar Surface Area122
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Heavy Atom Count44
Formal Charge0
Complexity1060
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)CNCCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC
InChI
InChI=1S/C35H39N3O6/c1-23-30(33(39)43-5)32(27-17-12-18-28(21-27)38(41)42)31(24(2)37-23)34(40)44-35(3,4)22-36-20-19-29(25-13-8-6-9-14-25)26-15-10-7-11-16-26/h6-18,21,29,32,36-37H,19-20,22H2,1-5H3
InChIKey
XUWJBJQKNANTCH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-O-[1-(3,3-diphenylpropylamino)-2-methylpropan-2-yl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CAS: 320750-11-6
CID: 10699260
Formula: C35H39N3O6
MW: 597.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight597.7
XLogP36.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Exact Mass597.28388597
Monoisotopic Mass597.28388597
Topological Polar Surface Area122 Ų
Heavy Atom Count44
Formal Charge0
Complexity1060
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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