Dehydro N2-Triphenylmethyl Olmesartan Ethyl Ester - CAS 172875-70-6

Catalog:	BB068563
Product Name:	Dehydro N2-Triphenylmethyl Olmesartan Ethyl Ester
CAS:	172875-70-6
Synonyms:	4-(1-Methylethenyl)-2-propyl-1-[[2'-[2-(triphenylmethyl)-2H-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-1H-imidazole-5-carboxylic Acid Ethyl Ester

Technical Data

IUPAC Name:	ethyl 5-prop-1-en-2-yl-2-propyl-3-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
Description:	Intermediate in the preparation of antihypertensive drugs.
Molecular Weight:	698.85
Molecular Formula:	C45H42N6O2
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
InChI:	InChI=1S/C45H42N6O2/c1-5-18-40-46-41(32(3)4)42(44(52)53-6-2)50(40)31-33-27-29-34(30-28-33)38-25-16-17-26-39(38)43-47-49-51(48-43)45(35-19-10-7-11-20-35,36-21-12-8-13-22-36)37-23-14-9-15-24-37/h7-17,19-30H,3,5-6,18,31H2,1-2,4H3
InChI Key:	VYLXPGWIYOGFBT-UHFFFAOYSA-N

Complexity:	1110
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	698.3369246
Formal Charge:	0
Heavy Atom Count:	53
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	698.3369246
Rotatable Bond Count:	14
Topological Polar Surface Area:	87.7Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	11