Oxayohimban-16-carboxylic acid,16,17-didehydro-19-methyl-, methyl ester,(19-alpha)-, mixt. with(5'-alpha,10-alpha)-9,10-dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(phenyl methyl)ergotaman-3',6',18-trione monomethanesulfonate (salt)and (5'-alpha,10-alpha)-9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)ergotaman-3',6',18- trione monomethanesulfonate (salt)

CAS 52623-83-3 MFCD01747925

化学结构图

52623-83-3
SMILES: C[C@@]1(NC(=O)[C@@H]2CC[C@H]3[C@@H](CC4=CNC5=CC=CC3=C45)N2C)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](CC3C=CC=CC=3)N2C1=O.COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCC4=C(NC5C=CC=CC4=5)[C@@H]3C[C@H]12.CC(C)[C@@]1(NC(=O)[C@@H]2CC[C@H]3[C@@H](CC4=CNC5=CC=CC3=C45)N2C)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](CC3C=CC=CC=3)N2C1=O.CS(O)(=O)=O.CS(O)(=O)=O

化学属性

Mol. FormulaC35H41N5O5.C33H37N5O5.C21H24N2O3.CH4O3S.CH4O3S
Mol. Weight1740.25

别名和识别编码

Chemical NameOxayohimban-16-carboxylic acid,16,17-didehydro-19-methyl-, methyl ester,(19-alpha)-, mixt. with(5'-alpha,10-alpha)-9,10-dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(phenyl methyl)ergotaman-3',6',18-trione monomethanesulfonate (salt)and (5'-alpha,10-alpha)-9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)ergotaman-3',6',18- trione monomethanesulfonate (salt)
Synonym Defluina
CAS Number52623-83-3
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安全信息

RTECSRP5776650 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2750 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 24,57,1974

系列性分类

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