20-alpha-Yohimban-16-beta-carboxylic acid,17-alpha-hydroxy-, methyl ester

CAS 131-03-3 MFCD00131033

化学结构图

131-03-3
SMILES: COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21

化学属性

Mol. Weight354.49
Mol. FormulaC21H26N2O3

别名和识别编码

Synonym Corynanthidine methyl (16β,17α,20α)-17-hydroxyyohimban-16-carboxylate Mesoyohimbine Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, Rauwolscine α-Yohimbine alpha-Isoyohimbine meso-Yohimbine α-Yohimbin Isoyohimbine Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16β,17α,20α)- 20α-Yohimban-16β-carboxylic acid, 17α-hydroxy-, methyl ester 17-alpha-Hydroxy-20-alpha-yohimban-16-beta-carboxylic acid methyl ester
Wiswesser Line NotationT F6 D5 C666 EM ON&&TTTJ TQ UVO1
Chemical Name20-alpha-Yohimban-16-beta-carboxylic acid,17-alpha-hydroxy-, methyl ester
CAS Number131-03-3
PubChem Substance ID643606
InChIInChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15+,17+,18+,19+/m1/s1
LabNetwork Molecule IDLN01110958
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分类

  • {uni_hamburg} no charge; nitrogen heterocycle; carbocycle; aromatic; alicycle; large ring; fused rings; 5ring; 6ring; 9ring; 10ring; 13ring; 14ring; 17ring; 21ring; ester; alcohol; chiral; 1fragment

相关文献及参考

  • Short: III/5b Title: Structure Data of Organic Crystals: C 14 ... C 120 Author: Schudt, E.; Weitz, G. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/5b Year: 1971 ISBN: 3-540-05177-5 ISBN: 978-3-540-05177-0 Internet Resource: DOI:10.1007/b19970 RefComment: XXI, 736 pages, and VII, 890 pages. Hardcover Abstract: Volume III/5 offers a compitation as complete as possible of the space groups and lattice con-stants of all crystals which have been studied by means of X-rays, neutron and electron diffraction.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

RTECSZG1005000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 50 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - convulsions or effect on seizure threshold
   Behavioral - changes in motor activity (specific assay)
REFERENCE :
   AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
   Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium)  V.4-   
   1898-  Volume(issue)/page/year: 134,447,1961

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 80 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - convulsions or effect on seizure threshold
   Behavioral - changes in motor activity (specific assay)
REFERENCE :
   AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
   Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium)  V.4-   
   1898-  Volume(issue)/page/year: 134,447,1961

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85IXA4 "Structure et Activite Pharmacodyanmique des Medicaments du Systeme
   Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948
    Volume(issue)/page/year: -,317,1948

系列性分类

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