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148564-47-0 | 3-Thiophenecarboxylic acid, 2-[[4-butyl-2-methyl-6-oxo-5-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-1(6H)-pyrimidinyl]methyl]-, methyl ester
CAS No: 148564-47-0 Catalog No: AG001L09 MDL No:
Product Description
Catalog Number:
AG001L09
Chemical Name:
3-Thiophenecarboxylic acid, 2-[[4-butyl-2-methyl-6-oxo-5-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-1(6H)-pyrimidinyl]methyl]-, methyl ester
CAS Number:
148564-47-0
Molecular Formula:
C30H30N6O3S
Molecular Weight:
554.6626
IUPAC Name:
methyl 2-[[4-butyl-2-methyl-6-oxo-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-1-yl]methyl]thiophene-3-carboxylate
InChI:
InChI=1S/C30H30N6O3S/c1-4-5-10-26-25(29(37)36(19(2)31-26)18-27-24(15-16-40-27)30(38)39-3)17-20-11-13-21(14-12-20)22-8-6-7-9-23(22)28-32-34-35-33-28/h6-9,11-16H,4-5,10,17-18H2,1-3H3,(H,32,33,34,35)
InChI Key:
QVFVAKQHELFATN-UHFFFAOYSA-N
SMILES:
CCCCc1nc(C)n(c(=O)c1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)Cc1sccc1C(=O)OC
UNII:
8UAL5421CL
Properties
Complexity:
965
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
554.21g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
554.669g/mol
Monoisotopic Mass:
554.21g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
Literature
| Title | Journal |
|---|---|
| Dual action molecules: bioassays of combined novel antioxidants and angiotensin II receptor antagonists. | European journal of pharmacology 20121115 |
| Angiotensin II receptor type 1 (AT1) selective nonpeptidic antagonists--a perspective. | Bioorganic & medicinal chemistry 20101215 |
| Selenosartans: novel selenophene analogues of milfasartan and eprosartan. | Bioorganic & medicinal chemistry letters 20080201 |
| Nonpeptide angiotensin II receptor antagonists: the next generation in antihypertensive therapy. | Journal of medicinal chemistry 19960202 |
| Pharmacology of LR-B/081, a new highly potent, selective and orally active, nonpeptide angiotensin II AT1 receptor antagonist. | British journal of pharmacology 19950301 |
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