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N-Trityl Candesartan

CAT: 1596-AR-C01205-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C01205-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
139481-72-4
Synonyms
2-ethoxy-1- ((2'- (1-trityl-1H-tetrazol-5-yl) -[1,1'-biphenyl]-4-yl) methyl) -1H-benzo[d]imidazole-7-carboxylic acid; Trityl candesartan;139481-72-4; N-Trityl Candesartan;2-Ethoxy-1- ((2'- (1-trityl-1H-tetrazol-5-yl) -[1,1'-biphenyl]-4-yl) methyl) -1H-benzo[d]imidazole-7-carboxylic acid; AK-46731;1H-BENZIMIDAZOLE-7-CARBOXYLIC ACID, 2-ETHOXY-1-[[2'-[1- (TRIPHENYLMETHYL) -1H-TETRAZOL-5-YL][1,1'-BIPHENYL]-4-YL]METHYL]-;2-ethoxy-1- ((2'- (1-trityl-1h-tetrazol-5-yl) biphenyl-4-yl) methyl) -1h-benzo[d]imidazole-7-carboxylic acid; SCHEMBL498030; BEN645.
Molecular Formula
C43H34N6O3
Molecular Weight
682.79
API Name
Candesartan

Chemical Information

2-Ethoxy-1-((2'-(1-(triphenylmethyl)-1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-1H-benzimidazole-7-carboxylic acid

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CAS Number139481-72-4
PubChem CID10312563
IUPAC Name2-ethoxy-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
Molecular FormulaC43H34N6O3
Molecular Weight682.8
XLogP8.9
Topological Polar Surface Area108
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count52
Formal Charge0
Complexity1090
SMILES
CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NN=NN5C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C(=O)O
InChI
InChI=1S/C43H34N6O3/c1-2-52-42-44-38-24-14-23-37(41(50)51)39(38)48(42)29-30-25-27-31(28-26-30)35-21-12-13-22-36(35)40-45-46-47-49(40)43(32-15-6-3-7-16-32,33-17-8-4-9-18-33)34-19-10-5-11-20-34/h3-28H,2,29H2,1H3,(H,50,51)
InChIKey
VBMKOTRJWPIKMG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Ethoxy-1-((2'-(1-(triphenylmethyl)-1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-1H-benzimidazole-7-carboxylic acid
CAS: 139481-72-4
CID: 10312563
Formula: C43H34N6O3
MW: 682.8
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight682.8
XLogP38.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass682.26923897
Monoisotopic Mass682.26923897
Topological Polar Surface Area108 Ų
Heavy Atom Count52
Formal Charge0
Complexity1090
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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AR-C05340-01N-Nitroso Candesartan Cilexetil
AR-C05911-01N-Nitroso Candesartan Cilexetil
AR-C05913-01N-Nitroso (R) -Candesartan Cilexetil
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AR-I01688-01Irbesartan N-Trityl Impurity
AR-L07802-01N-Trityl Losartan Isomer

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FT28595-01N-Trityl candesartan
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