Ergotaman-3',6',18-trione,12'-hydroxy-2'-methyl-5'-(phenylmethyl)-,(5'-alpha)-, (R-(R*,R*))-2,3-dihydroxybutanedioate(2:1) (salt), mixt. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione

CAS 69063-86-1 MFCD01746243

化学结构图

69063-86-1
SMILES: CN1C=NC2=C1C(=O)N(C)C(=O)N2C.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.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.OC(=O)[C@H](O)[C@@H](O)C(O)=O

化学属性

Mol. FormulaC66H70N10O10.C16H20N8O4.C4H6O6
Mol. Weight1702.00

别名和识别编码

Chemical NameErgotaman-3',6',18-trione,12'-hydroxy-2'-methyl-5'-(phenylmethyl)-,(5'-alpha)-, (R-(R*,R*))-2,3-dihydroxybutanedioate(2:1) (salt), mixt. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
Synonym Cafergot Cafergamine
CAS Number69063-86-1
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安全信息

RTECSKE7648500 
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Rectal
SPECIES OBSERVED        : Human - woman
DOSE/DURATION           : 5120 ug/kg/32D-I
TOXIC EFFECTS :
   Vascular - regional or general arteriolar constriction
REFERENCE :
   HUTODJ Human Toxicology.  (Macmillan Press Ltd., Houndmills, Basingstoke,
   Hants., RG 21 2XS, UK) V.1-    1981-  Volume(issue)/page/year: 5,61,1986

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - woman
DOSE                    : 3464 mg/kg
SEX/DURATION            : female 1-35 week(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - gastrointestinal
   system
REFERENCE :
   CPEDAM Clinical Pediatrics (Philadelphia).  (Lippincott/Harper, Journal
   Fulfillment Dept., 2350 Virginia Ave., Hagerstown, MD 21740)  V.1-    1962-
   Volume(issue)/page/year: 22,226,1983

系列性分类

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