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Losartan N1, O-Ditrityl Impurity

CAT: 1299-RM-L192016-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-L192016-01Size:10 mg
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CAS Number
1216554-14-1
Synonyms
5- (4'- ((2-butyl-4-chloro-5- ((trityloxy) methyl) -1H-imidazol-1-yl) methyl) -[1,1'-biphenyl]-2-yl) -1-trityl-1H-tetrazole
Molecular Formula
C60H51ClN6O
Molecular Weight
907.54
Target Alternative Name
Losartan
Product Name Synonym
Losartan N1, O-Ditrityl Impurity

Chemical Information

5-[2-[4-[[2-Butyl-4-chloro-5-(trityloxymethyl)imidazol-1-yl]methyl]phenyl]phenyl]-1-trityltetrazole
CAS Number1216554-14-1
PubChem CID57369303
IUPAC Name5-[2-[4-[[2-butyl-4-chloro-5-(trityloxymethyl)imidazol-1-yl]methyl]phenyl]phenyl]-1-trityltetrazole
Molecular FormulaC60H51ClN6O
Molecular Weight907.5
XLogP14.4
Topological Polar Surface Area70.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count17
Heavy Atom Count68
Formal Charge0
Complexity1360
SMILES
CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NN=NN4C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)COC(C8=CC=CC=C8)(C9=CC=CC=C9)C1=CC=CC=C1)Cl
InChI
InChI=1S/C60H51ClN6O/c1-2-3-38-56-62-57(61)55(44-68-60(50-30-16-7-17-31-50,51-32-18-8-19-33-51)52-34-20-9-21-35-52)66(56)43-45-39-41-46(42-40-45)53-36-22-23-37-54(53)58-63-64-65-67(58)59(47-24-10-4-11-25-47,48-26-12-5-13-27-48)49-28-14-6-15-29-49/h4-37,39-42H,2-3,38,43-44H2,1H3
InChIKey
KAMTZHFMOPHYPP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-[2-[4-[[2-Butyl-4-chloro-5-(trityloxymethyl)imidazol-1-yl]methyl]phenyl]phenyl]-1-trityltetrazole
CAS: 1216554-14-1
CID: 57369303
Formula: C60H51ClN6O
MW: 907.5
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight907.5
XLogP314.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count17
Exact Mass906.3812880
Monoisotopic Mass906.3812880
Topological Polar Surface Area70.7 Ų
Heavy Atom Count68
Formal Charge0
Complexity1360
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