기본 정보
- CAS
128-57-4- 표준 SMILES
O=C(O)c1cc(O)c2c(c1)[C@@H]([C@H]1c3cc(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-AIFLABODSA-N- 분자식
- C42H38O20
- 평균 분자량
- 862.7 g/mol
- 단동위원소 질량
- 862.1956436
개요
Sennoside B is a member of the class of sennosides that is (9R,9'S)-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid which is substituted by hydroxy groups at positions 4 and 4', by beta-D-glucopyranosyloxy groups at positions 5 and 5', and by oxo groups at positions 10 and 10'. It is an oxo dicarboxylic acid and a member of sennosides.
이름 및 식별자
- 우선 이름
- Sennoside B
- IUPAC
- (9S)-9-[(9R)-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
- 현지명
- 센노사이드B
- 영어명
- Sennoside B
- 분자식
- C42H38O20
- 분자량
- 862.74
이름 및 동의어
Sennoside B128-57-4EINECS 204-895-0F887D1637WNSC 112930SENNOSIDE B [USP-RS]SENNOSIDE B [WHO-DD]DTXSID6051433CHEBI:34975(9S)-9-[(9R)-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 B (USP-RS)SENNOSIDE B (CONSTITUENT OF SENNA LEAF AND PODS) [DSC]
이름 더 보기
센노사이드BTisasen BPURSENNIDEGLYSENNIDESennosides BSENNOSIDE B(P)Sennoside B RSSENNIDINE B(RG)SENNOSIDE B(SH)Sennoside B(AS)
(-)-(9R,9'S)-5,5'-bis(beta-D-glucopyranosyloxy)-4,4'-dihydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid(9R,9'S)-5,5'-BIS(.BETA.-D-GLUCOPYRANOSYLOXY)-9,9',10,10'-TETRAHYDRO-4,4'-DIHYDROXY-10,10'-DIOXO(9,9'-BIANTHRACENE)-2,2'-DICARBOXYLIC ACID(9R,9'S)-5,5'-bis(beta-D-glucopyranosyloxy)-4,4'-dihydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid(9S)-9-((9R)-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 acidRefChem:884887DTXCID5030034SENNOSIDE B (CONSTITUENT OF SENNA LEAF AND PODS)(9R,9'S)-5,5'-BIS(BETA-D-GLUCOPYRANOSYLOXY)-9,9',10,10'-TETRAHYDRO-4,4'-DIHYDROXY-10,10'-DIOXO(9,9'-BIANTHRACENE)-2,2'-DICARBOXYLIC ACID
물성
구조 계산 물성
- XLogP
- 1.2
- 극성 표면적
- 348 Ų
- 수소 결합 공여자 수
- 12
- 수소 결합 수용자 수
- 20
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 62
- 형식 전하
- 0
- 복잡도
- 1,550
실험 및 물리화학적 성질
LipidsPolyketides [PK] -> Aromatic polyketides [PK13] -> Anthracenes and phenanthrenes [PK1304]
LogP-0.686
Physical DescriptionSolid
물리화학적 성질
- 녹는점
- 209 · 209~212℃
- 끓는 점
- 698.48 °C · 698.48°C (rough estimate)
- 밀도
- 1.3066 · 1.3066 (rough estimate)
- 굴절률
- 1.763 · 1.7630 (estimate)
- 저장 조건
- 2 · 2-8°C
- 용해도
- DMSO(약간, 가열), 메탄올(약간, 가열)에 용해됨
- 산도 계수 (pKa)
- 3.31 · 3.31±0.40(Predicted)
- 물리적 상태
- Solid
- 색상
- 연한 노란색에서 진한 노란색까지
- BRN
- 5723747 · 5723747
- 안정성
- 흡습성
- InChIKey
- IPQVTOJGNYVQEO-IDJKMNDUNA-N
- LogP
- 1.88 · 1.880 (est)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (60%): Harmful if swallowed [Warning Acute toxicity, oral]
P233, P260, P261, P264, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P321, P330, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: [9,9'-Bianthracene]-2,2'-dicarboxylic acid, 5,5'-bis(.beta.-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-, (R*,S*)-
[9,9'-Bianthracene]-2,2'-dicarboxylic acid, 5,5'-bis(.beta.-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-, (9R,9'S)-: 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.
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and CategoriesAcute Tox. 4 (60%)
안전 데이터
- wgk
- 3
- HS 번호
- 29329990
- risk_code
- 22
- safety_code
- 22-45-24/25
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
UsesUse (kg; approx.) in Germany (2009): >10
응용 분야
용도Sennoside B is used in the inhibition of platelet driven growth factor (PDGF) used and may inhibit proliferative disease which depend upon the PDGF pathway. Laxative.
공급사100 곳
国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南京普怡生物科技有限公司13814510036 · [email protected]
成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]
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