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1006062-28-7,MFCD23160668
Catalog No.:AA0002E7
1006062-28-7 | 2H-Tetrazole, 5-[4'-[[2-butyl-4-chloro-5-[(triphenylmethoxy)methyl]-1H-imidazol-1-yl]methyl][1,1'-biphenyl]-2-yl]-
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Technical Information
Catalog Number:
AA0002E7
Chemical Name:
2H-Tetrazole, 5-[4'-[[2-butyl-4-chloro-5-[(triphenylmethoxy)methyl]-1H-imidazol-1-yl]methyl][1,1'-biphenyl]-2-yl]-
CAS Number:
1006062-28-7
Molecular Formula:
C41H37ClN6O
Molecular Weight:
665.2251
MDL Number:
MFCD23160668
IUPAC Name:
5-[2-[4-[[2-butyl-4-chloro-5-(trityloxymethyl)imidazol-1-yl]methyl]phenyl]phenyl]-2H-tetrazole
InChI:
InChI=1S/C41H37ClN6O/c1-2-3-23-38-43-39(42)37(48(38)28-30-24-26-31(27-25-30)35-21-13-14-22-36(35)40-44-46-47-45-40)29-49-41(32-15-7-4-8-16-32,33-17-9-5-10-18-33)34-19-11-6-12-20-34/h4-22,24-27H,2-3,23,28-29H2,1H3,(H,44,45,46,47)
InChI Key:
RIUQREUAFRCKLE-UHFFFAOYSA-N
SMILES:
CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nn[nH]n1)COC(c1ccccc1)(c1ccccc1)c1ccccc1)Cl
UNII:
M28MZ3K5Z8
Properties
Computed Properties
 
Complexity:
916  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
664.272g/mol
Formal Charge:
0
Heavy Atom Count:
49  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
665.238g/mol
Monoisotopic Mass:
664.272g/mol
Rotatable Bond Count:
13  
Topological Polar Surface Area:
81.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.5  

Synonyms
 
Losartan Trityl Ether 
1006062-28-7 
Jsp002065 
CHEMBL3968740 
CTK8E7661 
DTXSID20143428 
ZINC67665173 
AKOS030240963 
AS-13620 
I971 
RT-017426 
FT-0670862 
UNII-M28MZ3K5Z8 
J-000179 
5-[2-[4-[[2-butyl-4-chloro-5-(trityloxymethyl)imidazol-1-yl]methyl]phenyl]phenyl]-1H-tetrazole 
5-[4'-[[2-Butyl-4-chloro-5-[(triphenylmethoxy)methyl]-1H-imidazol-1-yl]methyl][1,1'-biphenyl]-2-yl]-2H-tetrazole 
Trityl losartan 
Losartan Impurity D 
133909-99-6 
2H-Tetrazole, 5-(4'-((2-butyl-4-chloro-5-((triphenylmethoxy)methyl)-1H-imidazol-1-yl)methyl)(1,1'-biphenyl)-2-yl)- 
M28MZ3K5Z8 
5-(4'-((2-Butyl-4-chloro-5-(((triphenylmethyl)oxy)methyl)-1H-imidazol-1-yl)methyl)biphenyl-2-yl)-1H-tetrazole 
O-Trityl Losartan 
5-[4'-[[2-Butyl-4-chloro-5-[[(triphenylmethyl]oxy]methyl]-1H-imidazol-1-yl]methyl]biphenyl-2-yl]-1H-tetrazole 
Losartan potassium impurity I [EP] 
C41H37ClN6O 
SCHEMBL1472569 
Literature

Title: Trityl losartan.

Journal: Acta crystallographica. Section C, Crystal structure communications 20041101

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