Ergocornine 麦角考宁

CAS 564-36-3 MFCD00274574

化学结构图

564-36-3
SMILES: CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12

化学属性

Mol. FormulaC31H39N5O5
Mol. Weight561.75
Density1.4

别名和识别编码

Chemical NameErgotaman-3',6',18-trione,12'-hydroxy-2',5'-bis(1-methylethyl)-, (5'-alpha)-
CAS Number564-36-3
Synonym (5'?)-12'-Hydroxy-2',5'-bis(1-methylethyl)ergotaman-3',6',18-trione 12′-Hydroxy-2′,5′-α-bis(1-methyl-ethyl)ergotaman-3′,6′,18-trion 12'-Hydroxy-2',5'-alpha-bis(1-methylethyl)ergotaman-3',6',18-trione Ergocornin Ergocornine NSC 407316 ergocorine mesylate ergocorine phosphate ergocornine ergocornine 2-maleate (1:1), (5'alpha)-isomer ergocornine 2-maleate (2:1), (5'alpha)-isomer ergocornine maleate ergocornine methanesulfonate, (5'alpha)-isomer ergocornine methyl sulfate, (5'alpha)-isomer ergocornine monomethanesulfonate, (5'alpha)-isomer ergocornine monomethanesulfonate, (5'alpha,8alpha)-isomer ergocornine phosphate, (5'alpha)-isomer ergocornine, (5'alpha,8alpha)-isomer ergocorninine 麦角碱,麦角柯宁碱 麦角考宁
MDL NumberMFCD00274574
PubChem Substance ID73453
EC Number209-272-7
Chemical Name Translation麦角考宁
Wiswesser Line NotationT C6656 1A P GN LM CUTT&&J G1 EVM- DT B565 CO EVNHVNTJ BQ DY1&1 GY1&1
Beilstein Registry Number0078784
InChIInChI=1S/C31H39N5O5/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37)/t19-,23-,24+,26+,30-,31+/m1/s1
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分类

  • Aromatics
  • Heterocycles
  • Inhibitors
  • Neurochemicals
  • Pharmaceuticals
  • Intermediates & Fine Chemicals
  • {SA} Bioactive Small Molecules, Cell Biology, Cell Signaling and Neuroscience, E, Ergot Alkaloids, Neurobiology, Neuroscience, Pharmacologicals

产品应用

  • 多巴胺受体激动剂；麦角碱

相关文献及参考

  • Bhat, R., et al.: Toxicol. Appl. Pharmacol., 36, 11 (1976),
  • Komarova, E., et al.: Pharm. Chem. J., 35, 542 (2001),
  • Krska, R., et al.: Anal. Bioanal. Chem., 391, 563 (2008),

安全信息

RTECSKE7630000
WGK Germany3
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 1170 ug/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: -,304,1948

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 10 mg/kg
SEX/DURATION            : lactating female 7 day(s) post-birth
TOXIC EFFECTS :
   Reproductive - Maternal Effects - postpartum
REFERENCE :
   BIREBV Biology of Reproduction.  (Soc. for the Study of Reproduction, 309 W.
   Clark St., Champaign, IL 61820)  V.1-    1969-  Volume(issue)/page/year:
   1,367,1969

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 50 mg/kg
SEX/DURATION            : female 10 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Fertility - other measures of fertility
REFERENCE :
   JRPFA4 Journal of Reproduction and Fertility.  (Biochemical Soc. Book Depot,
   POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK)  V.1-    1960-
   Volume(issue)/page/year: 11,459,1966

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 5 mg/kg
SEX/DURATION            : female 5 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - other measures of fertility
REFERENCE :
   RCOCB8 Research Communications in Chemical Pathology and Pharmacology. (PJD
   Pub. Ltd., P.O. Box 966, Westbury, NY 11590)  V.1-    1970-
   Volume(issue)/page/year: 7,701,1974

其他信息

  • 麦角（ergot）是寄生在黑麦中的一种麦角菌的干燥菌核，在麦穗上突出如角，故名。目前已用人工培养方法生产。 麦角中含多种作用强大的成分，主要是麦角碱类，此外尚有组胺、酪胺、胆碱和乙酰胆碱等。麦角碱类在化学结构上都是麦角酸的衍生物，可分为两类。 1.氨基酸麦角碱类　包括麦角胺（ergotamine）和麦角毒（ergotoxine），后者是三种麦角碱（ergocristine, ergokryptine, ergocornine）的混合物。口服吸收不良，且不规则，作用缓慢而持久。 2.氨基麦

系列性分类

  1. Functional Group 官能团索引
  2. orthocarboxylic acid derivative

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