Ergoline-8-beta-carboxamide,9,10-didehydro-N-(1-(hydroxymethyl)propyl)-1,6-dimethyl- 美西麦角

CAS 361-37-5 MFCD00242883

化学结构图

361-37-5
SMILES: CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1

化学属性

Mol. FormulaC21H27N3O2
Mol. Weight353.46
Melting Point194-196 °C
Boiling Point486.87 °C at 760 mmHg

别名和识别编码

Chemical NameErgoline-8-beta-carboxamide,9,10-didehydro-N-(1-(hydroxymethyl)propyl)-1,6-dimethyl-
Wiswesser Line NotationT C6656 1A P GN LN CUTT&&J EVMY2&1Q G1 L1
Synonym Methysergide {LY} Methysergide {} {LY} Methysergide {} {} {LY} Methysergide {} {} {} {LY} Methysergide {} {} {} {} {LY} Methysergide {} {} {} {} {} {LY} Methysergide {} {} {} {} {} {} {LY} Methysergide {} {} {} {} {} {} {} {LY} Methysergide {} {} {} {} {} {} {} {} {LY} Methysergide {} {} {} {} {} {} {} {} {} {LY} Methysergide {} {} {} {} {} {} {} {} {} {} {LY} Methysergide {} {} {} {} {} {} {} {} {} {} {} {LY} Methysergide {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methysergide {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methysergide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methysergide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methysergide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methysergide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methysergide {} {} {} {} {} {} {} {} {} {}
Beilstein Registry Number0765985
CAS Number361-37-5
PubChem Substance ID9681
InChIInChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1
MDL NumberMFCD00242883
Chemical Name Translation 美西麦角
Canonical SMILESCN1C2=CC=CC3=C2C(C[C@]4([H])C3=C[C@@H](C(N[C@H](CO)CC)=O)CN4C)=C1
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安全信息

RTECSKE5300000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 185 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PSCBAY Psychopharmacology Service Center, Bulletin.  (Bethesda, MD)  V.1-3,
   1961-65.  For publisher information, see PSYBB9.  Volume(issue)/page/year:
   2,17,1963

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human
DOSE/DURATION           : 28 ug/kg
TOXIC EFFECTS :
   Behavioral - anorexia (human)
   Behavioral - headache
   Gastrointestinal - nausea or vomiting
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 16,220,1966

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 440 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PSCBAY Psychopharmacology Service Center, Bulletin.  (Bethesda, MD)  V.1-3,
   1961-65.  For publisher information, see PSYBB9.  Volume(issue)/page/year:
   2,17,1963

Storage condition

系列性分类

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