Ergotaman-3',6',18-trione,12'-hydroxy-2'-methyl-5'-(phenylmethyl)-,(5'-alpha,8-alpha)-, monomethanesulfonate (salt)

CAS 74137-68-1 MFCD01752729

化学结构图

74137-68-1
SMILES: C[C@@]1(NC(=O)[C@@H]2CN(C)[C@@H]3CC4=CNC5=CC=CC(=C45)C3=C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](CC3C=CC=CC=3)N2C1=O.CS(O)(=O)=O

化学属性

Mol. FormulaC33H35N5O5.CH4O3S
Mol. Weight677.84

别名和识别编码

Chemical NameErgotaman-3',6',18-trione,12'-hydroxy-2'-methyl-5'-(phenylmethyl)-,(5'-alpha,8-alpha)-, monomethanesulfonate (salt)
Synonym Ergotaminine methanesulfonate
CAS Number74137-68-1
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安全信息

RTECSKE7637560
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >300 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   BAXXDU British UK Patent Application. (U.S. Patent and Trademark Office,
   Foreign Patents, Washington, DC 20231)  Volume(issue)/page/year: #2025960

系列性分类


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