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基本情報
- CAS
130-89-2- 標準SMILES
C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12.Cl- InChIKey
LBSFSRMTJJPTCW-DSXUQNDKSA-N- 分子式
- C20H25ClN2O2
- 平均分子量
- 360.9 g/mol
- 単同位体質量
- 360.1604557
名称と識別子
- 優先名称
- Quinine Hydrochloride
- IUPAC
- (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;hydrochloride
- 現地名
- (8α,9R)-6'-メトキシシンコナン-9-オール/塩酸,(1:x)
- 英語名
- (8α,9R)-6'-Methoxycinchonan-9-ol/hydrochloric acid,(1:x)
- 分子式
- C20H25ClN2O2
- 分子量
- 360.88
名称と別名
Quinine hydrochlorideQuinine HClQuinine muriateQuinine monohydrochlorideFEMA No. 2976Chininum muriaticumQuinini hydrochloridumFEMA NO. 2976, DIHYDRATE-RefChem:930477231-437-7612-097-2711S8Y0T33
名称をさらに表示
(8α,9R)-6'-メトキシシンコナン-9-オール/塩酸,(1:x)Einecs 231-437-7(8a,9R)-6 -Methoxysynsonan-9-ol hydrochlorid(8α,9R)-6'-Methoxycinchonan-9-ol/hydrochloric acid,(1:x)Cinchonan-9-ol, 6'-methoxy-, hydrochloride, (8alpha,9R)-Cinchonan-9-ol, 6'-methoxy-, hydrochloride (1:), (8alpha,9R)-Quinine HCLQ: What is Quinine HCL Q: What is the CAS Number of Quinine HCL Q: What is the storage condition of Quinine HCL Q: What are the applications of Quinine HCL
Quinine monohydrochloride dihydrate130-89-2Chinimetten(R)-(6-Methoxyquinolin-4-yl)((1S,2S,4S,5R)-5-vinylquinuclidin-2-yl)methanol hydrochlorideEINECS 205-001-1MFCD00078498CCRIS 20027549-43-1
データベース識別子
- CAS
130-89-2、60-93-5、6119-47-7、7549-43-1- PubChem CID
- 91558
- DTXSID
DTXSID7044213- ChEMBL
CHEMBL588046- UNII
- 7CS0WNO31M
- EC Number
- 205-001-1、231-437-7、612-097-2
物性
構造計算による物性補完中
- 極性表面積
- 45.6 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
- 4
- 重原子数
- 25
- 形式電荷
- 0
- 複雑度
- 457
物理化学的性質
- 臭い (Odor)
- ほぼ無臭
- EPAの化学物質情報
- -9 · Cinchonan-9-ol, 6'-methoxy-, hydrochloride, (8.alpha.,9R)- (7549-43-1)
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
Warning
H302 (> 99.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (91.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H332 (91.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1410 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危険有害性情報
Regulatory Information
Chemical: Cinchonan-9-ol, 6'-methoxy-, monohydrochloride, (8.alpha.,9R)-
Chemical: Cinchonan-9-ol, 6'-methoxy-, monohydrochloride, dihydrate, (8.alpha.,9R)-
Chemical: Cinchonan-9-ol, 6'-methoxy-, hydrochloride, (8.alpha.,9R)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Cinchonan-9-ol, 6'-methoxy-, monohydrochloride, (8.alpha.,9R)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety Information
IMAP assessments - Quinine and its salts: Human health tier II assessment
IMAP assessments - Quinine and its salts: Human health tier II assessment
IMAP assessments - Quinine and its salts: Human health tier II assessment
Hazard Classes and Categories
Acute Tox. 4 (> 99.9%)；Acute Tox. 4 (91.3%)；Acute Tox. 4 (91.3%)
Acute Tox. 4 (100%)；Acute Tox. 4 (11.1%)；Skin Sens. 1 (66.7%)；Acute Tox. 4 (55.6%)；Resp. Sens. 1 (44.4%)
Acute Tox. 4 (100%)；Skin Sens. 1 (99.5%)；Acute Tox. 4 (24.4%)；Resp. Sens. 1 (75.1%)
Acute toxicity - category 4；Skin sensitisation - category 1
Acute toxicity - category 4；Skin sensitisation - category 1
Acute toxicity - category 4；Skin sensitisation - category 1
法規制情報
Regulatory Information
Chemical: Cinchonan-9-ol, 6'-methoxy-, monohydrochloride, (8.alpha.,9R)-
Chemical: Cinchonan-9-ol, 6'-methoxy-, monohydrochloride, dihydrate, (8.alpha.,9R)-
Chemical: Cinchonan-9-ol, 6'-methoxy-, hydrochloride, (8.alpha.,9R)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Cinchonan-9-ol, 6'-methoxy-, monohydrochloride, (8.alpha.,9R)-: Does not have an individual approval but may be used under an appropriate group standard
安全データ
- tsca
- TSCA listed
化学と産業
薬理情報
MeSH Pharmacological Classification
Agents used in the treatment of malaria. They are usually classified on the basis of their action against plasmodia at different stages in their life cycle in the human. (From AMA, Drug Evaluations Annual, 1992, p1585)
A heterogeneous group of drugs used to produce muscle relaxation, excepting the neuromuscular blocking agents. They have their primary clinical and therapeutic uses in the treatment of muscle spasm and immobility associated with strains, sprains, and injuries of the back and, to a lesser degree, injuries to the neck. They have been used also for the treatment of a variety of clinical conditions that have in common only the presence of skeletal muscle hyperactivity, for example, the muscle spasms that can occur in MULTIPLE SCLEROSIS. (From Smith and Reynard, Textbook of Pharmacology, 1991, p358)
A subclass of analgesic agents that typically do not bind to OPIOID RECEPTORS and are not addictive. Many non-narcotic analgesics are offered as NONPRESCRIPTION DRUGS.
用途と製造
Household ProductsInformation on 1 consumer products that contain Quinine hydrochloride in the following categories is provided:；• Pet Care
Use ClassificationFlavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information
Cinchonan-9-ol, 6'-methoxy-, hydrochloride (1:1), (8.alpha.,9R)-: ACTIVE
Cinchonan-9-ol, 6'-methoxy-, hydrochloride (1:?), (8.alpha.,9R)-: INACTIVE
応用分野
使用ANTI MALARIALS
サプライヤー4 社
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
Jai Radhe Sales+(91)-(79)-26431096/65255722 · [email protected]
武汉盈邦医药有限公司+86-13296627870; +86-13971566811 · [email protected]
AFINE CHEMICALS LIMITED+86-571-85134551 +86-18958018566 · [email protected]
関連反応
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化合物ノート
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