テルミサルタン-D3
Telmisartan-d3
基本情報
- CAS
1189889-44-8- 標準SMILES
[2H]C([2H])([2H])n1c(-c2cc(C)c3nc(CCC)n(Cc4ccc(-c5ccccc5C(=O)O)cc4)c3c2)nc2ccccc21- InChIKey
RMMXLENWKUUMAY-HPRDVNIFSA-N- 分子式
- C33H30N4O2
- 平均分子量
- 517.6 g/mol
- 単同位体質量
- 517.25570645
概要
See also: Telmisartan (annotation moved to).
名称と識別子
- 優先名称
- Telmisartan-d3
- IUPAC
- 2-[4-[[4-methyl-2-propyl-6-[1-(trideuteriomethyl)benzimidazol-2-yl]benzimidazol-1-yl]methyl]phenyl]benzoic acid
- 現地名
- テルミサルタン-D3
- 英語名
- TELMISARTAN-D3
- 分子式
- C33H27D3N4O2
- 分子量
- 517.64
名称と別名
Telmisartan-d31189889-44-8DTXSID70662199RefChem:1099439DTXCID806129482-[4-[[4-methyl-2-propyl-6-[1-(trideuteriomethyl)benzimidazol-2-yl]benzimidazol-1-yl]methyl]phenyl]benzoic acidTelmisartan D3C33H30N4O22-[4-[[4-Methyl-2-propyl-6-[1-(trideuteriomethyl)benzimidazol-2-yl]benzimidazol-1-yl]methyl]phenyl]benzoic acid; Telmisartan-d3orb2280724SCHEMBL23360771TMIH-0556
名称をさらに表示
テルミサルタン-D3Pritor-d3BIBR 277-d3Micardis-d3BIBR 277SE-d3D3-TelmisartanTelmisartan-d3 in methanol4'-[(1,4'-DiMethyl-2'-propyl[2,6'-bi-H-benziMidazol]-1'-yl)Methyl][1,1'-biphenyl]-2-carboxylic Acid-d34'-[[4-Methyl-6-(1-Methyl-2-benziMidazolyl)-2-propyl-1-benziMidazolyl] Methyl]-2-biphenylcarboxylic Acid-d34'-({4-methyl-6-[1-(2H?)methyl-1H-1,3-benzodiazol-2-yl]-2-propyl-1H-1,3-benzodiazol-1-yl}methyl)-[1,1'-biphenyl]-2-carboxylic acid
ARD10070D3HY-13955SMFCD08063575AKOS030243169MS-29607CS-00658764'-((7'-methyl-1-(methyl-d3)-2'-propyl-1H,3'H-[2,5'-bibenzo[d]imidazol]-3'-yl)methyl)-[1,1'-biphenyl]-2-carboxylic acid4'-{[7'-Methyl-1-(~2~H_3_)methyl-2'-propyl-1H,3'H-[2,5'-bi-1,3-benzimidazol]-3'-yl]methyl}[1,1'-biphenyl]-2-carboxylic acid
物性
構造計算による物性
- XLogP
- 6.9
- 極性表面積
- 72.9 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 4
- 回転可能結合数
- 7
- 重原子数
- 39
- 形式電荷
- 0
- 複雑度
- 831
物理化学的性質
- 融点
- 262 · 262-265°C
- 貯蔵温度
- -20 °C · -20°C Freezer, Under Inert Atmosphere
- 溶解性
- DMSO（微量）、メタノール（微量、加温）
- 外見
- 個体
- 色
- 白からベージュ
化学的性質
化学的特性Off-White Crystalline Solid
化学と産業
応用分野
説明Telmisartan-d3 is intended for use as an internal standard for the quantification of telmisartan by GC- or LC-MS. Telmisartan is a nonpeptide angiotensin (AT) II receptor antagonist which selectively and insurmountably inhibits the AT II receptor subtype AT1 (Ki = 3.7 nM). It also acts as a partial agonist of peroxisome proliferator-activated receptor gamma (PPARγ), activating the receptor to 25-30% of that produced by the full agonist rosiglitazone (; EC50 = 4.5 μM). Through these actions, telmisartan potently reduces blood pressure in various animal models of hypertension, diminishing cardiac hypertrophy, cardiovascular and renal risk, and glomerulosclerosis.
使用TelMisartan-d3 is an angiotensin II receptor antagonist.
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化合物ノート
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