基本情報
- CAS
114785-14-7- 標準SMILES
Cc1cc(Cn2cnc3c2CC(C(=O)O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)ccc1N(C)C- InChIKey
YSTVFDAKLDMYCR-UHFFFAOYSA-N- 分子式
- C31H32N4O3
- 平均分子量
- 508.6 g/mol
- 単同位体質量
- 508.2474409
概要
1-[[4-(dimethylamino)-3-methylphenyl]methyl]-5-(1-oxo-2,2-diphenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid is a diarylmethane.
名称と識別子
- 優先名称
- 1-((4-(dimethylamino)-3-methylphenyl)methyl)-5-(diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo(4,5-c)pyridine-6-carboxylic acid
- IUPAC
- 1-[[4-(dimethylamino)-3-methylphenyl]methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
名称と別名
1-((4-(Dimethylamino)-3-methylphenyl)methyl)-5-(diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo(4,5-c)pyridine-6-carboxylic acid1-[[4-(dimethylamino)-3-methylphenyl]methyl]-5-(diphenylacetyl)-4,5,6,7-tetrahydro-1h-imidazo[4,5-c]pyridine-6-carboxylic acidRefChem:9071141-[[4-(dimethylamino)-3-methylphenyl]methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acidEMA200(S)-(+)-PD 123319PD-123319 ditrifluoroacetate1-[[4-(Dimethylamino)-3-methylphenyl]methyl]-5-(2,2-diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid114785-14-7C2PJT3V6N6PD-123319 free base?SCHEMBL668526
名称をさらに表示
CHEBI:91799DTXSID901024634HMS3653O03s7098AKOS032947247SB16509PD 123,319 DITRIFLUOROACETATENCGC00389790-01
データベース識別子
- CAS
物性
構造計算による物性
- XLogP
- 4.4
- 極性表面積
- 78.7 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 5
- 回転可能結合数
- 7
- 重原子数
- 38
- 形式電荷
- 0
- 複雑度
- 791
化学と産業
薬理情報
MeSH Pharmacological Classification
Drugs used to cause constriction of the blood vessels.
Agents that antagonize the ANGIOTENSIN II TYPE 2 RECEPTOR.
関連反応
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化合物ノート
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