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CAS 172875-59-1
Also known as: 172875-59-1, Ethyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate, Ethyl 4-(2-hydroxypropan-2-yl)-2-propyl-1-((2'-(2-trityl-2h-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1h-imidazole-5-carboxylate, N-tritylolmesartan ethyl ester (4-(1-hydroxy-1-methylethyl)-2-propyl-1-[[2'-[2-(triphenylmethyl)-2h-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-1h-imidazole-5-carboxylic acid ethyl ester), Schembl991961, 4-(1-hydroxy-1-methylethyl)-2-propyl-1-[[2'-[2-(triphenylmethyl)-2h-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-1h-imidazole-5-carboxylic acid ethyl ester
Molecular Formula
C45H44N6O3
Molecular Weight
716.9  g/mol
InChI Key
PKLGOYACZYXKDL-UHFFFAOYSA-N

1 2D Structure

CAS 172875-59-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
2.1.2 InChI
InChI=1S/C45H44N6O3/c1-5-18-39-46-41(44(3,4)53)40(43(52)54-6-2)50(39)31-32-27-29-33(30-28-32)37-25-16-17-26-38(37)42-47-49-51(48-42)45(34-19-10-7-11-20-34,35-21-12-8-13-22-35)36-23-14-9-15-24-36/h7-17,19-30,53H,5-6,18,31H2,1-4H3
2.1.3 InChI Key
PKLGOYACZYXKDL-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NN(N=N4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C(=O)OCC)C(C)(C)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 172875-59-1

2. Ethyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate

3. Ethyl 4-(2-hydroxypropan-2-yl)-2-propyl-1-((2'-(2-trityl-2h-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1h-imidazole-5-carboxylate

4. N-tritylolmesartan Ethyl Ester (4-(1-hydroxy-1-methylethyl)-2-propyl-1-[[2'-[2-(triphenylmethyl)-2h-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-1h-imidazole-5-carboxylic Acid Ethyl Ester)

5. Schembl991961

6. 4-(1-hydroxy-1-methylethyl)-2-propyl-1-[[2'-[2-(triphenylmethyl)-2h-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-1h-imidazole-5-carboxylic Acid Ethyl Ester

7. 4-(2-hydroxypropane-2-yl)-2-propyl-1-[[2'-(2-trityl-2h-tetrazole-5-yl)biphenyl-4-yl]methyl]-1h-imidazole-5-carboxylic Acid Ethyl Ester

8. Ethyl 4-(2-hydroxypropan-2-yl)-2-propyl-1-((2'-(2-trityl-2h-tetrazol-5-yl)biphenyl-4-yl)methyl)-1h-imidazole-5-carboxylate

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 716.9 g/mol
Molecular Formula C45H44N6O3
XLogP39.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count14
Exact Mass716.34748929 g/mol
Monoisotopic Mass716.34748929 g/mol
Topological Polar Surface Area108 Ų
Heavy Atom Count54
Formal Charge0
Complexity1110
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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144690-92-6
Olmesartan Medoxomil
Zhuhai Rundu Pharmaceutical Co., Ltd. is a modern scientific and technological pharmaceutical enterprise ...
Zhuhai Rundu Pharmaceutical Co., Ltd. is a modern scientific and technological pharmaceutical enterprise integrating drug research and development, production, and sales. It is located in Jinwan District, Zhuhai City, Guangdong Province. It was established in 1999. On January 5, 2018, the company was listed on the Shenzhen Stock Exchange (stock abbreviation: Rundu; stock code: 002923). The company's main business is the research and development, production, and sales of chemical-pharmaceutical preparations, chemical raw materials, and pharmaceutical intermediates. field.
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144689-93-0
Olmesartan Medoxomil
Zhuhai Rundu Pharmaceutical Co., Ltd. is a modern scientific and technological pharmaceutical enterprise ...
Zhuhai Rundu Pharmaceutical Co., Ltd. is a modern scientific and technological pharmaceutical enterprise integrating drug research and development, production, and sales. It is located in Jinwan District, Zhuhai City, Guangdong Province. It was established in 1999. On January 5, 2018, the company was listed on the Shenzhen Stock Exchange (stock abbreviation: Rundu; stock code: 002923). The company's main business is the research and development, production, and sales of chemical-pharmaceutical preparations, chemical raw materials, and pharmaceutical intermediates. field.
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