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기본 정보
- CAS
483-10-3- 표준 SMILES
COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O- InChIKey
BLGXFZZNTVWLAY-DKJBZYCGSA-N- 분자식
- C21H26N2O3
- 평균 분자량
- 354.4 g/mol
- 단동위원소 질량
- 354.1943427
이름 및 식별자
- 우선 이름
- Corynanthine
- IUPAC
- methyl (1S,15R,18S,19S,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
- 영어명
- CORYNANTHINE
- 분자식
- C21H26N2O3
- 분자량
- 354.44
이름 및 동의어
corynanthine483-10-3RauhimbinCorynanthinF5Z7C9RK8UDTXSID401317915NSC-407306methyl (1S,15R,18S,19S,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylateMethyl (16beta,17alpha)-17-hydroxyyohimban-16-carboxylateYohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16beta,17alpha)-Yohimban-16beta-carboxylic acid, 17alpha-hydroxy-, methyl estermethyl (1S,15R,18S,19S,20S)-18-hydroxy-3,13-diazapentacyclo(11.8.0.0^(2,10).0^(4,9).0^(15,20))henicosa-2(10),4,6,8-tetraene-19-carboxylate
이름 더 보기
Nsc407306RAUHIMBINECoynanthineCORYNANTHINE HCL(RG)corynanthine free baseCORYNANTHINE DIHYDRATE
methyl (1S,15R,18S,19S,20S)-18-hydroxy-3,13-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4,6,8-tetraene-19-carboxylateRefChem:128147DTXCID601747710207-590-0MFCD00069659CHEMBL31410SMR000857089methyl hydroxy[?]carboxylate
데이터베이스 식별자
- CAS
483-10-3- PubChem CID
- 92766
- DTXSID
DTXSID401317915- ChEBI
CHEBI:92122- UNII
- F5Z7C9RK8U
- EC Number
- 207-590-0
- Nikkaji
- J5.984F
물성
구조 계산 물성보충 중
- XLogP
- 2.9
- 극성 표면적
- 65.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 555
실험 및 물리화학적 성질
Solubility>53.2 [ug/mL] (The mean of the results at pH 7.4)
Collision Cross Section
186 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
184.96 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]；171.55 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]；182.23 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]；181.99 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
물리화학적 성질
- 녹는점
- 225 · 225-230°C
- 저장 조건
- 2 · 2-8°C
- LogP
- 2.2 · 2.200 (est)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 3 (100%)
안전 데이터
- wgk
- 3
- ridadr
- 1544
- risk_code
- 25
- safety_code
- 1-20-45
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Agents that dilate the pupil. They may be either sympathomimetics or parasympatholytics.
Drugs that bind to and block the activation of ADRENERGIC ALPHA-2 RECEPTORS.
Drugs used in the treatment of urological conditions and diseases such as URINARY INCONTINENCE and URINARY TRACT INFECTIONS.
응용 분야
개요This alkaloid has been isolated by Hoffmann from the bark of Rauwolfia serpentina. It forms colourless crystals from Me2CO and has [α]20D - 82° (c 0.5, pyridine).
공급사21 곳
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
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