N2-Trityl Olmesartan Acid - CAS 752179-89-8

Catalog:	BB057033
Product Name:	N2-Trityl Olmesartan Acid
CAS:	752179-89-8
Synonyms:	Olmesartan N2-Trityl Impurity; 4-(2-hydroxypropan-2-yl)-2-propyl-1-((2'-(2-trityl-2H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1H-imidazole-5-carboxylic acid

Technical Data

IUPAC Name:	5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
Description:	One of the impurities of Olmesartan Medoxomil. Olmesartan Medoxomil is an angiotensin II receptor antagonist which has been used for the treatment of high blood pressure. It is a metabolite of Olmesartan, which is a specific angiotensin II type 1 (AT1) receptor antagonist with antihypertensive effect. hAT1 receptors: IC50 = 6.18 nM.
Molecular Weight:	688.82
Molecular Formula:	C43H40N6O3
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)O)C(C)(C)O
InChI:	InChI=1S/C43H40N6O3/c1-4-16-37-44-39(42(2,3)52)38(41(50)51)48(37)29-30-25-27-31(28-26-30)35-23-14-15-24-36(35)40-45-47-49(46-40)43(32-17-8-5-9-18-32,33-19-10-6-11-20-33)34-21-12-7-13-22-34/h5-15,17-28,52H,4,16,29H2,1-3H3,(H,50,51)
InChI Key:	ITUFJDFACFQQAZ-UHFFFAOYSA-N
Boiling Point:	901.0±75.0 °C (Predicted)
Density:	1.22±0.1 g/cm3 (Predicted)
Solubility:	DMSO, Methanol
Appearance:	White Solid
References:	Yanagisawa, H., et al. J. Med. Chem., 39, 323 (1996), Puchler, K., et al. J. Hypertens., 15, 1809 (1997),.

Complexity:	1080
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	688.31618916
Formal Charge:	0
Heavy Atom Count:	52
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	688.31618916
Rotatable Bond Count:	12
Topological Polar Surface Area:	119Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	8.7