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1-ベンジル-2,3-ジメチルグアニジン

Bethanidine

HCID 2368
ノート反応
基本情報概要名称と識別子物性化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
55-73-2
標準SMILES
CN=C(NC)NCc1ccccc1
InChIKey
NIVZHWNOUVJHKV-UHFFFAOYSA-N
分子式
C10H15N3
平均分子量
177.25 g/mol
単同位体質量
177.12659749

概要

Bethanidine is a member of guanidines. It has a role as an antihypertensive agent and an adrenergic antagonist.

名称と識別子

優先名称
Bethanidine
IUPAC
1-benzyl-2,3-dimethylguanidine
現地名
1-ベンジル-2,3-ジメチルグアニジン
英語名
Betanidine
分子式
C10H15N3
分子量
177.25

名称と別名

Bethanidine1-BENZYL-2,3-DIMETHYLGUANIDINE55-73-2BetanidinaBetanidinumGuanidine, N,N'-dimethyl-N''-(phenylmethyl)-W8S3YM7AUUN,N'-dimethyl-N''-(phenylmethyl)-guanidineDTXSID7022677CHEBI:37937Bethanidine, Sulfate (2:1)Sulfate, Bethanidine
名称をさらに表示
N,N'-ジメチル-N''-(フェニルメチル)グアニジンベタニジン【Betanidine】N''-ベンジル-N,N'-ジメチルグアニジン1-ベンジル-2,3-ジメチルグアニジンベタニジンN′′-ベンジル-N,N′-ジメチルグアニジンN,N′-ジメチル-N′′-(フェニルメチル)グアニジンBETANIDINBetanidineBetanidine USP/EP/BPN,N'-Dimethyl-N''-(phenylmethyl)guanidineGuanidine, N,N''-dimethyl-N'-(phenylmethyl)-
RefChem:568014DTXCID3026772-Benzyl-1,3-dimethylguanidineBetanidoleBethanidBatelBenzanidinBenzanidine

データベース識別子

CAS
55-73-2
PubChem CID
2368
DTXSID

物性

構造計算による物性

XLogP
0.9
極性表面積
36.4 Ų
水素結合供与体数
2
水素結合受容体数
1
回転可能結合数
4
重原子数
13
形式電荷
0
複雑度
160

実験および物理化学的性質

DrugsPharmaceuticals -> Listed in ZINC15
LogP0.49
Solubility1.58e+00 g/L
Human DrugsPharmaceuticals
Physical DescriptionSolid

物理化学的性質

融点
195 · 195-197°
沸点
299.18 °C · 299.18°C (rough estimate)
比重(密度)
0.9826 · 0.9826 (rough estimate)
屈折率
1.48 · 1.4800 (estimate)
酸解離定数(Pka)
10.6 · pKa 10.6 (Uncertain)

化学と産業

薬理情報

Pharmacodynamics · 1 件

Bethanidine is a guanidinium antihypertensive agent that acts by blocking adrenergic transmission. The precise mode of action is not clear. Although bethanidine may produce adverse effects, they are beneficial in severe hypertension and produce fewer side effects than guanethidine.

Mechanism of Action · 1 件

Bethanidine, a guanidine derivative, is a peripherally acting antiadrenergic agent which primarily acts as an alpha2a adrenergic agonist. Bethanidine effectively decreases blood pressure by suppressing renin secretion or interfering with function of the sympathetic nervous system.

Biological Half-Life9 hours (range 7 to 11 hours)
MeSH Pharmacological Classification · 3 件

Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS.

Drugs that inhibit the actions of the sympathetic nervous system by any mechanism. The most common of these are the ADRENERGIC ANTAGONISTS and drugs that deplete norepinephrine or reduce the release of transmitters from adrenergic postganglionic terminals (see ADRENERGIC AGENTS). Drugs that act in the central nervous system to reduce sympathetic activity (e.g., centrally acting alpha-2 adrenergic agonists, see ADRENERGIC ALPHA-AGONISTS) are included here.

Drugs that act on adrenergic receptors or affect the life cycle of adrenergic transmitters. Included here are adrenergic agonists and antagonists and agents that affect the synthesis, storage, uptake, metabolism, or release of adrenergic transmitters.

Absorption, Distribution and ExcretionAbsorbed rapidly in the gastrointestinal tract following oral administration.
Cellular LocationsMembrane

用途と製造

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化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性化学と産業関連反応化合物ノート
DTXSID7022677
ChEMBL
CHEMBL1201260
ChEBI
CHEBI:37937
UNII
W8S3YM7AUU
Nikkaji
J4.563B
Use ClassificationPharmaceuticals

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