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Fimasartan Impurity 2

CAT: 1299-RM-F052602-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-F052602-01Size:10 mg
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CAS Number
503155-67-7
Synonyms
2- (2-butyl-4-methyl-6-oxo-1- ((2'- (1-trityl-1H-tetrazol-5-yl) -[1,1'-biphenyl]-4-yl) methyl) -1,6-dihydropyrimidin-5-yl) -N, N-dimethylacetamide
Molecular Formula
C46H45N7O2
Molecular Weight
727.91
Target Alternative Name
Fimasartan
Product Name Synonym
2- (2-butyl-4-methyl-6-oxo-1- ((2'- (1-trityl-1H-tetrazol-5-yl) -[1,1'-biphenyl]-4-yl) methyl) -1,6-dihydropyrimidin-5-yl) -N, N-dimethylacetamide

Chemical Information

2-(2-butyl-4-methyl-6-oxo-1-((2'-(1-trityl-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1,6-dihydropyrimidin-5-yl)-N,N-dimethylacetamide
CAS Number503155-67-7
PubChem CID69145078
IUPAC Name2-[2-butyl-4-methyl-6-oxo-1-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-5-yl]-N,N-dimethylacetamide
Molecular FormulaC46H45N7O2
Molecular Weight727.9
XLogP7.8
Topological Polar Surface Area96.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Heavy Atom Count55
Formal Charge0
Complexity1290
SMILES
CCCCC1=NC(=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NN=NN4C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)CC(=O)N(C)C)C
InChI
InChI=1S/C46H45N7O2/c1-5-6-26-42-47-33(2)41(31-43(54)51(3)4)45(55)52(42)32-34-27-29-35(30-28-34)39-24-16-17-25-40(39)44-48-49-50-53(44)46(36-18-10-7-11-19-36,37-20-12-8-13-21-37)38-22-14-9-15-23-38/h7-25,27-30H,5-6,26,31-32H2,1-4H3
InChIKey
WPSOLPSHOJWQBJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-butyl-4-methyl-6-oxo-1-((2'-(1-trityl-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1,6-dihydropyrimidin-5-yl)-N,N-dimethylacetamide
CAS: 503155-67-7
CID: 69145078
Formula: C46H45N7O2
MW: 727.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight727.9
XLogP37.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Exact Mass727.36347370
Monoisotopic Mass727.36347370
Topological Polar Surface Area96.6 Ų
Heavy Atom Count55
Formal Charge0
Complexity1290
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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