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

Modify Date: 2025-08-26 20:23:23

(8β)-2-Bromo-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carbox amide structure	Common Name	(8β)-2-Bromo-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carbox amide
	CAS Number	478-84-2	Molecular Weight	402.32800
	Density	1.44g/cm3	Boiling Point	580.7ºC at 760mmHg
	Molecular Formula	C₂₀H₂₄BrN₃O	Melting Point	N/A
	MSDS	N/A	Flash Point	305ºC

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

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
InChIKey	VKRAXSZEDRWLAG-SJKOYZFVSA-N
SMILES	CCN(CC)C(=O)C1C=C2c3cccc4[nH]c(Br)c(c34)CC2N(C)C1

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

lsd

CAS#:50-37-3

~73%

(8β)-2-Bromo-N,...

CAS#:478-84-2

Literature: Stanovnik, Branko; Tisler, Miha; Jurgec, Milan; Rucman, Rudolf Heterocycles, 1981 , vol. 16, # 5 p. 741 - 745

Name: Displacement of [3H]5-HT from recombinant human 5-HT7 receptor expressed in African g...
Source: ChEMBL
Target: 5-hydroxytryptamine receptor 7
External Id: CHEMBL4343395

Name: Binding affinity for rodent 5-hydroxytryptamine 5A receptor
Source: ChEMBL
Target: 5-hydroxytryptamine receptor 5A
External Id: CHEMBL618085

Name: Rat 5-HT6 receptor (5-Hydroxytryptamine receptors)
Source: IUPHAR-DB
Target: 5-HT6 receptor (5-Hydroxytryptamine receptors) [Rattus norvegicus]
External Id: 11_Rat

Name: Metabolic stability in pooled human liver microsomes assessed as half-life at 1 uM pr...
Source: ChEMBL
Target: N/A
External Id: CHEMBL5359401

Name: Displacement of [3H]5-HT from human 5-hydroxytryptamine 7 receptor
Source: ChEMBL
Target: 5-hydroxytryptamine receptor 7
External Id: CHEMBL620823

Name: Mouse 5-HT7 receptor (5-Hydroxytryptamine receptors)
Source: IUPHAR-DB
Target: 5-HT7 receptor (5-Hydroxytryptamine receptors) [Mus musculus]
External Id: 12_Mouse

Name: Metabolic stability in pooled human liver microsomes assessed as intrinsic clearance ...
Source: ChEMBL
Target: N/A
External Id: CHEMBL5359400

Name: Non-selective inhibitory activity was determined against 5-hydroxytryptamine 7 recept...
Source: ChEMBL
Target: 5-hydroxytryptamine receptor 7
External Id: CHEMBL619862

Name: Binding affinity towards 5-hydroxytryptamine 7 receptor
Source: ChEMBL
Target: 5-hydroxytryptamine receptor 7
External Id: CHEMBL619052

Name: Human 5-HT7 receptor (5-Hydroxytryptamine receptors)
Source: IUPHAR-DB
Target: 5-HT7 receptor (5-Hydroxytryptamine receptors) [Homo sapiens]
External Id: 12_Human

Total 10, Current Page 1 of 1

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2-bromo-5-pyridylmethyl bromide

2-bromo-6-methyl-9,10-didehydro-ergoline-8-carboxylic acid diethylamide

2-Brom-lysergsaeurediethylamid

2-bromo-5-bromoethylpyridine

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2-bromo-5R,8R-lysergic acid diethyl amide

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.

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

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Synthetic Route

Bioassay

Synonyms

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.