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 |
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: | 87.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 11 |
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