基本情報
- CAS
517-43-1- 標準SMILES
O=C(O)c1cc(O)c2c(c1)C(C1c3cc(C(=O)O)cc(O)c3C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc31)c1cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O- InChIKey
IPQVTOJGNYVQEO-JLDSCGAUSA-N- 分子式
- C42H38O20
- 平均分子量
- 862.7 g/mol
- 単同位体質量
- 862.1956436
概要
Sennoside is a diastereoisomeric mixture containing sennoside A and sennoside B that is used as a laxative and cathartic. Its components are found in senna (Senna alexandrina, also known as Cassia angustifolia), where sennoside A and sennoside B are present in equal amounts, and in rhubarbs (Rheum rhabarbarum), where sennoside A predominates. It has a role as a laxative and a cathartic. It contains a sennoside B and a sennoside A.
名称と識別子
- 優先名称
- Sennoside
- IUPAC
- 9-[2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid
- 現地名
- センノシド
- 英語名
- SENNOSIDES
- 分子式
- C42H38O20
- 分子量
- 862.75
名称と別名
sennosideSennaglucosidesCHEBI:349749-(2-carboxy-4-hydroxy-10-oxo-5-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl)oxy-9H-anthracen-9-yl)-4-hydroxy-10-oxo-5-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl)oxy-9H-anthracene-2-carboxylic acid9-[2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-9H-anthracene-2-carboxylic acidRefChem:1098465208-238-9517-43-1Sennoside GPursennid (TN)Sennosides (USP)Senna-lax
名称をさらに表示
9,9',10,10'-テトラヒドロ-4,4'-ジヒドロキシ-5,5'-ビス(β-D-グルコピラノシルオキシ)-10,10'-ジオキソ-9,9'-ビアントラセン-2,2'-ジカルボン酸5,5'-ビス(β-D-グルコピラノシルオキシ)-9,9',10,10'-テトラヒドロ-4,4'-ジヒドロキシ-10,10'-ジオキソ-9,9'-ビアントラセン-2,2'-ジカルボン酸センノシド5,5′-ビス(β-D-グルコピラノシルオキシ)-9,9′,10,10′-テトラヒドロ-4,4′-ジヒドロキシ-10,10′-ジオキソ-9,9′-ビアントラセン-2,2′-ジカルボン酸4,4'-ジヒドロキシ-10,10'-ジオキソ-5,5'-ビス({[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ})-9H,9'H,10H,10'H-[9,9'-ビアントラセン]-2,2'-ジカルボン酸9,9′,10,10′-テトラヒドロ-4,4′-ジヒドロキシ-5,5′-ビス(β-D-グルコピラノシルオキシ)-10,10′-ジオキソ-9,9′-ビアントラセン-2,2′-ジカルボン酸SENNOSIDAnnonisinSennosidesSennosidumSENNOSIDE 8%UVSennosides A+BSennoside (8CI)SENNOSIDES (250 MG)Sennosides (500 mg)
Sennoside A1Sennoside A&B66575-30-29-[2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acidSennoside (JAN)4,4'-dihydroxy-10,10'-dioxo-5,5'-bis(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-9,9',10,10'-tetrahydro-[9,9'-bianthracene]-2,2'-dicarboxylic acidorb1992200SCHEMBL11140501
データベース識別子
- CAS
517-43-1、66575-30-2- PubChem CID
- 656822
- DTXSID
DTXSID301354079- ChEBI
CHEBI:34974- EC Number
- 208-238-9、805-136-1
- Nikkaji
- J182.274H
物性
構造計算による物性
- XLogP
- 1.2
- 極性表面積
- 348 Ų
- 水素結合供与体数
- 12
- 水素結合受容体数
- 20
- 回転可能結合数
- 9
- 重原子数
- 62
- 形式電荷
- 0
- 複雑度
- 1,550
物理化学的性質
- 沸点
- 1144.8 · 1144.8±65.0 °C(Predicted)
- 比重(密度)
- 1.743 · 1.743
- 酸解離定数(Pka)
- 3.31 · 3.31±0.40(Predicted)
- 主な用途
- 医薬品（低分子化合物）
- InChIKey
- IPQVTOJGNYVQEO-UHFFFAOYSA-N
- SMILES
- O=C1C2=C(C=CC=C2C(C2C3=CC=CC(OC4C(C(O)C(O)C(CO)O4)O)=C3C(=O)C3=C(C=C(C(=O)O)C=C23)O)C2=CC(C(=O)O)=CC(O)=C12)OC1C(C(O)C(O)C(CO)O1)O
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
Danger
H317 (75%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P233, P260, P261, P271, P272, P273, P280, P284, P302+P352, P304+P340, P321, P333+P317, P342+P316, P362+P364, P391, P403, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.
Warning
危険有害性情報
Hazard Classes and Categories
Skin Sens. 1B (75%)
Acute Tox. 4 (33.3%)
毒性情報
Drug Induced Liver Injury
Drug-Induced Liver Injury Severity and Toxicity (DILIst)
Sennoside
DILI Positive
DOI:10.1016/j.drudis.2019.09.022
安全データ
- wgk
- WGK 3
- hs_code
- 2938900000
- ストレージクラス
- 11 - Combustible Solids
化学と産業
用途と製造
UsesUse (kg; approx.) in Germany (2009): >10
サプライヤー48 社
国药集团化学试剂有限公司86-21-63210123 · [email protected]
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
山西玉宁生物科技有限公司13623677056 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Shaanxi LonierHerb Bio Technology Co Ltd+86-86-+86-86-029-87551862 15002946897 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
Shaanxi Cuikang Pharmaceutical Technology Co., Ltd+86-13119157289 · [email protected]
Shaanxi Haibo Biotechnology Co., Ltd+86-18629295024 · [email protected]
湖北海克斯生化有限公司18696113233 · [email protected]
Shandong Hanjiang Chemical Co., Ltd+86-0533-2066820 +8618369939125 · [email protected]
陕西昊辰生物科技有限公司18710685966 18710685966 · [email protected]
湖北辰心化工有限公司18696113233 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
福建盛世嘉泰药业有限公司13385921167 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
西安康培基生物科技有限公司86-029-85456576 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
海南瀚海致远生物科技有限公司18171012772 · [email protected]
Dingwang Technology (Wuhan) Co., Ltd.+undefined-27-2786652399 +undefined13627115097 · [email protected]
西安金萃坊植物技术开发有限公司18149239207 13679125026 · [email protected]
湖北万业众诚化学试剂有限责任公司18671296875 · [email protected]
Changsha Staherb Natural Ingredients Co., Ltd.+86-0731-84213306 +8618374838656 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
西安天广源生物科技有限公司17391627434 · [email protected]
Creative Enzymes1-516-855-7709 · [email protected]
武汉克米克生物医药技术有限公司027-13163388153 13163388153 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
上海超岚化工科技中心（原上海巢莱）0-2022843681 15618226720 · [email protected]
深圳市祥根生物医药有限公司0755-28967200 13631290199 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
海蔚化学86-21-51086038 · [email protected]
湖北麦凯斯精化科技有限责任公司13026126800 13026126800;13027176014 · [email protected]
湖北拓源精细化工有限公司027-84700466 13260688474 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
西安睿斯生物科技有限公司17792397526 · [email protected]
铭龙（咸宁）医药有限公司186-7296-9259 18771307593 · [email protected]
陕西滨博生物科技有限公司+8618629063126 · [email protected]
重庆卡兰医药有限公司[email protected]
黄石荆晟生物科技有限公司17771199833; 17771199833 · [email protected]
陕西缔都医药化工有限公司+86-29-87569266 +86-17392581500 · [email protected]
吉林省吉创致远医药有限公司19543148466 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
西安泽邦生物科技有限公司17391926474 17391627434 · [email protected]
陕西新天域生物科技有限公司029-32565555 18710500080 · [email protected]
補足説明
定義ChEBI: A diastereoisomeric mixture containing sennoside A and sennoside B that is used as a laxative and cathartic. Its components are found in senna (Senna alexandrina, also known as Cassia angustifolia), where sennoside A and sennoside B are present in equal amounts, and in rhubarbs (Rheum rhabarbarum), where sennoside A predominates.
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