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(8β)-2-Bromo-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carbox amide

Names

[ CAS No. ]:
478-84-2

[ Name ]:
(8β)-2-Bromo-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carbox amide

[Synonym ]:
Bromolysergide
6-Bromo-3-pyridylmethyl bromide
2-bromo-lysergide
2-bromo-5-pyridylmethyl bromide
2-bromo-6-methyl-9,10-didehydro-ergoline-8-carboxylic acid diethylamide
2-Brom-lysergsaeurediethylamid
2-bromo-5-bromoethylpyridine
2-bromo-5-bromomethylpyridine
2-bromo-5R,8R-lysergic acid diethyl amide

Chemical & Physical Properties

[ Density]:
1.44g/cm3

[ Boiling Point ]:
580.7ºC at 760mmHg

[ Molecular Formula ]:
C20H24BrN3O

[ Molecular Weight ]:
402.32800

[ Flash Point ]:
305ºC

[ Exact Mass ]:
401.11000

[ PSA ]:
39.34000

[ LogP ]:
3.60640

[ Vapour Pressure ]:
1.77E-13mmHg at 25°C

[ Index of Refraction ]:
1.676

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
KE2625000
CHEMICAL NAME :
Ergoline-8-beta-carboxamide, 2-bromo-9,10-didehydro-N,N-diethyl-6-methyl-
CAS REGISTRY NUMBER :
478-84-2
LAST UPDATED :
199106
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C20-H26-Br-N3-O
MOLECULAR WEIGHT :
404.40
WISWESSER LINE NOTATION :
T C6656 1A P GN LN CUTT&&J EVN2&2 G1 KE L1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human
DOSE/DURATION :
75 ug/kg
TOXIC EFFECTS :
Vascular - regional or general arteriolar or venous dilation
REFERENCE :
PSYPAG Psychopharmacologia (Berlin). (Berlin, Ger.) V.1-46, 1959-76. For publisher information, see PSCHDL. Volume(issue)/page/year: 1,20,1959
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
25 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
6 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - ataxia Nutritional and Gross Metabolic - body temperature increase
REFERENCE :
ANYAA9 Annals of the New York Academy of Sciences. (New York Academy of Sciences, 2 E. 63rd St., New York, NY 10021) V.1- 1877- Volume(issue)/page/year: 66,668,1957 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
2 ug/kg
SEX/DURATION :
female 8 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
SCIEAS Science. (American Assoc. for the Advancement of Science, 1333 H St., NW, Washington, DC 20005) V.1- 1895- Volume(issue)/page/year: 158,265,1967
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
2 ug/kg
SEX/DURATION :
female 8 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - Central Nervous System Reproductive - Specific Developmental Abnormalities - homeostasis Reproductive - Specific Developmental Abnormalities - other developmental abnormalities
REFERENCE :
SCIEAS Science. (American Assoc. for the Advancement of Science, 1333 H St., NW, Washington, DC 20005) V.1- 1895- Volume(issue)/page/year: 158,265,1967

Synthetic Route