基本情報
- CAS
70775-75-6- 標準SMILES
CCCCCCCCN=c1ccn(CCCCCCCCCCn2ccc(=NCCCCCCCC)cc2)cc1.Cl.Cl- InChIKey
SMGTYJPMKXNQFY-UHFFFAOYSA-N- 分子式
- C36H62N4.2ClH
- 平均分子量
- 623.8 g/mol
- 単同位体質量
- 622.4508034
概要
See also: Octenidine (has active moiety).
名称と識別子
- 優先名称
- Octenidine Hydrochloride
- IUPAC
- N-octyl-1-[10-(4-octylimino-1-pyridinyl)decyl]pyridin-4-imine;dihydrochloride
- 現地名
- オクテニジン二塩酸塩
- 英語名
- Octenidine dihydrochloride
- 分子式
- C36H64Cl2N4
- 分子量
- 623.82616
名称と別名
70775-75-6OCTENIDINE HYDROCHLORIDEOctenidine HClSensidin doWin 41464-2octenidermOctenidolLAS189962LAS-189962WIN-41464-2U84956NU4BDTXSID90221025
名称をさらに表示
オクテニジン二塩酸塩オクテニジン塩酸塩1,1′-(1,10-デカンジイル)ビス(4-オクチルイミノ-1,4-ジヒドロピリジン)・2塩酸塩オクテニジンＨＣｌOctenidine DiHClN,N'-(decane-1,10-diyldi-1(4H)-pyridyl-4-ylidene)bis(octylammonium) dichlorideSOT360Otinidine hydrochlorideocenidine dihydrochlorideOrtinidine dihydrochlorideOctenidineDihydrochloride>Octenidine dihydrochloride 97%
RefChem:856047DTXCID90143516N,N'-(1,10-decanediyldi-1-(4H)-pyridinyl-4-ylidene)bis-(1-octamine) dihydrochloride274-861-8Octenidine dihydrochlorideOctenidine (dihydrochloride)1-Octanamine,N,N'-(1,10-decanediyldi-1(4H)-pyridinyl-4-ylidene)bis-, hydrochloride (1:2)1,1'-(Decane-1,10-diyl)bis(N-octylpyridin-4(1H)-imine) dihydrochloride
データベース識別子
- CAS
物性
構造計算による物性
- 極性表面積
- 31.2 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 4
- 回転可能結合数
- 25
- 重原子数
- 42
- 形式電荷
- 0
- 複雑度
- 691
物理化学的性質
- 融点
- 215 · 215-217℃
- 比重(密度)
- 1.046 · 1.046[at 20℃]
- 蒸気圧
- 0 Pa · 0Pa at 25℃
- 貯蔵温度
- Keep in dark place,Inert atmosphere,Room temperature
- 溶解性
- ジメチルスルホキシド、メタノールに可溶。
- 外見
- 個体
- 色
- ホワイトからオフホワイト
- 水溶解度
- 14.2 g/L · 14.2g/L at 20℃
- Merck
- 14 · 14,6754
- 安定性
- 吸湿性
- 化粧品成分の機能
- 抗菌剤
- InChIKey
- SMGTYJPMKXNQFY-UHFFFAOYSA-N
- SMILES
- [N+]1(CCCCCCCCCC[N+]2C=CC(NCCCCCCCC)=CC=2)=CC=C(NCCCCCCCC)C=C1.[Cl-].[Cl-]
- LogP
- 1.5 at · 1.5 at 23℃
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。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 1.4% (1 of 70) of reports.
Warning
H302 (98.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 70 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: 1-Octanamine, N,Nâ²-(1,10-decanediyldi-1(4H)-pyridinyl-4-ylidene)bis-, hydrochloride (1:2)
REACH registered substance: N,N'-(decane-1,10-diyldi-1(4H)-pyridyl-4-ylidene)bis(octylammonium) dichloride (EC: 274-861-8)
Octenidine hydrochloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 4 (98.6%)
安全データ
- hs_code
- 2933399990
化学と産業
薬理情報
MeSH Pharmacological Classification
Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection.
Substances 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
Household ProductsInformation on 5 consumer products that contain Octenidine Hcl in the following categories is provided:
応用分野
説明The antiseptic agent octenidine dihydrochloride (OCT) was developed by Sterling Winthrop (WIN41464-2) in the 1980s as an alternative to the anti-plaque agent CHX and successfully tested in vitro and in vivo. OCT has a broad spectrum of activity with similar effectiveness against Gram-negative and Gram-positive bacteria, fungi, and yeasts. Moreover, it has been shown that it may effectively interfere with the co-aggregation of dental plaque microbial colonizers without disturbing the normal, healthy oral flora. In a standardized comparison of antimicrobial activity ofthe antiseptic agents triclosan, polyvinylpyrrolidone-iodine, OCT, polyhexamethylene biguanide, and Chlorhexidine digluconat (CHX) using the min-imal effective concentration and minimum bactericidal con-centration, OCT was the most effective active agent of alltested antimicrobial substances. In other studies, the antibacterial and antiplaque efficacy of OCT was equal to or even greater than that of CHX[1].
使用Octenidine dihydrochloride is used as a antiseptic for skin, mucous Membranes and wounds.
上流・下流製品情報
上流原料
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