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ジブロムプロパミジン

Dibrompropamidine

HCID 11974
ノート反応
基本情報概要名称と識別子物性安全と法規制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
496-00-4
標準SMILES
N=C(N)c1ccc(OCCCOc2ccc(C(=N)N)cc2Br)c(Br)c1
InChIKey
GMJFVGRUYJHMCO-UHFFFAOYSA-N
分子式
C17H18Br2N4O2
平均分子量
470.2 g/mol
単同位体質量
467.97965

概要

Dibrompropamidine is an aromatic ether.

名称と識別子

優先名称
Dibrompropamidine
IUPAC
3-bromo-4-[3-(2-bromo-4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide
現地名
ジブロムプロパミジン
英語名
Dibrompropamidine
分子式
C17H18Br2N4O2
分子量
470.16

名称と別名

DibrompropamidineDibromopropamidine496-00-4DibromopropamidinaDibrompropamidinumdibrompropamidina269M3QL74SDTXSID901979184,4'-(Trimethylenedioxy)bis(3-bromobenzamidine)3-bromo-4-[3-(2-bromo-4-carbamimidoylphenoxy)propoxy]benzene-1-carboximidamide3-bromo-4-(3-(2-bromo-4-carbamimidoylphenoxy)propoxy)benzene-1-carboximidamideRefChem:132915
名称をさらに表示
4,4'-(トリメチレンビスオキシ)ビス(3-ブロモベンズアミジン)4,4'-[1,3-プロパンジイルビス(オキシ)]ビス[3-ブロモベンゼンカルボイミドアミド]4,4'-[1,3-プロパンジイルビスオキシ]ビス(3-ブロモベンズアミジン)ジブロモプロパミジン4,4'-(トリメチレンジオキシ)ビス(3-ブロモベンズアミジン)4,4'-[1,3-プロパンジイルビス(オキシ)]ビス(3-ブロモベンズアミジン)4,4'-(プロパン-1,3-ジイルビスオキシ)ビス(3-ブロモベンズアミジン)ジブロムプロパミジン4,4′-(プロパン-1,3-ジイルビスオキシ)ビス(3-ブロモベンズアミジン)4,4′-[1,3-プロパンジイルビスオキシ]ビス(3-ブロモベンズアミジン)4,4′-[1,3-プロパンジイルビス(オキシ)]ビス[3-ブロモベンゼンカルボイミドアミド]3-ブロモ-4-[3-(2-ブロモ-4-カルバムイミドイルフェノキシ)プロポキシ]ベンゼン-1-カルボキシミドアミド4,4′-(トリメチレンジオキシ)ビス(3-ブロモベンズアミジン)

物性

構造計算による物性

XLogP
3.2
極性表面積
118 Ų
水素結合供与体数
4
水素結合受容体数
4
回転可能結合数
8
重原子数
25
形式電荷
0
複雑度
426

実験および物理化学的性質

Chemical ClassesOther Uses -> Biocides/Disinfectants

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

毒性情報

Treatment · 1 件

EYES: irrigate opened eyes for several minutes under running water. INGESTION: do not induce vomiting. Rinse mouth with water (never give anything by mouth to an unconscious person). Seek immediate medical advice. SKIN: should be treated immediately by rinsing the affected parts in cold running water for at least 15 minutes, followed by thorough washing with soap and water. If necessary, the person should shower and change contaminated clothing and shoes, and then must seek medical attention. INHALATION: supply fresh air. If required provide artificial respiration.

Health Effects · 1 件

Bromine vapour causes irritation and direct damage to the mucous membranes. Elemental bromine also burns the skin. The bromide ion is a central nervous system depressant and chronic exposure produces neuronal effects. This is called bromism and can result in central reactions reaching from somnolence to coma, cachexia, exicosis, loss of reflexes or pathologic reflexes, clonic seizures, tremor, ataxia, loss of neural sensitivity, paresis, papillar edema of the eyes, abnormal speech, cerebral edema, delirium, aggressiveness, and psychoses. (L625, L626, L627)

Exposure RoutesOral (L626) ; inhalation (L626) ; dermal (L626)
Toxicity Summary · 1 件

Bromine is a powerful oxidizing agent and is able to release oxygen free radicals from the water in mucous membranes. These free radicals are also potent oxidizers and produce tissue damage. In additon, the formation of hydrobromic and bromic acids will result in secondary irritation. The bromide ion is also known to affect the central nervous system, causing bromism. This is believed to be a result of bromide ions substituting for chloride ions in the in actions of neurotransmitters and transport systems, thus affecting numerous synaptic processes. (L626, L627, A543)

Signs and Symptoms · 1 件

Bromine vapour causes irritation and direct damage to the mucous membranes. Symptoms include lacrimation, rhinorrhoea, eye irritation with mucous secretions from the oropharyngeal and upper airways, coughing, dyspnoea, choking, wheezing, epistaxis, and headache. The bromide ion is a central nervous system depressant producing ataxia, slurred speech, tremor, nausea, vomiting, lethargy, dizziness, visual disturbances, unsteadiness, headaches, impaired memory and concentration, disorientation and hallucinations. This is called bromism. (L626, L627)

化学と産業

薬理情報

ATC Code · 4 件

S - Sensory organs

D - Dermatologicals

QD - Dermatologicals

QS - Sensory organs

Metabolism/Metabolites · 1 件

Bromine is mainly absorbed via inhalation, but may also enter the body through dermal contact. Bromine salts can be ingested. Due to its reactivity, bromine quickly forms bromide and may be deposited in the tissues, displacing other halogens. (L626)

MeSH Pharmacological ClassificationSubstances used on humans and other animals that destroy harmful microorganisms or inhibit their activity. They are distinguished from DISINFECTANTS, which are used on inanimate objects.

用途と製造

Uses · 3 件

Dibromopropamidine isethionate is used as an antiseptic, antiamebic, and cosmetic preservative; [Merck Index]

Using Disinfectants or Biocides [Category: Clean]

As dibrompropamidine isethionate, it is also used in eyedrops and ointment for the treatment of infections. Diatomic bromine does not occur naturally, but bromine salts can be found in crustal rock.

上流・下流製品情報

上流原料

アンモニア塩酸

サプライヤー2 社

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]

関連反応

2 件
反応記録を作成
HRID 551575 の反応式
HRID 551575反応物としてuspto-grants-2011_05
HRID 1671367 の反応式
HRID 1671367反応物としてuspto-grants-2011_08

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安全と法規制化学と産業関連反応化合物ノート
4,4′-(トリメチレンビスオキシ)ビス(3-ブロモベンズアミジン)
4,4′-[1,3-プロパンジイルビス(オキシ)]ビス(3-ブロモベンズアミジン)
4,4'-(Trimethylenebisoxy)bis(3-bromobenzamidine)
4,4'-[1,3-Propanediylbisoxy]bis(3-bromobenzamidine)
4,4'-[1,3-Propanediylbis(oxy)]bis(3-bromobenzamidine)
Benzenecarboximidamide, 4,4'-[1,3-propanediylbis(oxy)]bis[3-bromo-
D08AC01DTXCID50120409S01AX14Dibrompropamidine [INN]3-bromo-4-[3-(2-bromo-4-carbamimidoylphenoxy)propoxy]benzenecarboximidamideCHEMBL30044Dibrompropamidine (INN)NCGC00189076-01

データベース識別子

CAS
496-00-4
PubChem CID
11974
DTXSID
DTXSID90197918
ChEMBL
CHEMBL30044
ChEBI
CHEBI:135760
UNII
269M3QL74S
Nikkaji
J238.537F
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).