CAS 548-42-5|AGROCLAVIN

Introduction：Basic information about CAS 548-42-5|AGROCLAVIN, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. AGROCLAVIN BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
MUTATION DATA
5. Safety Information
6. Customs
7. Synonyms

Common Name	AGROCLAVIN
CAS Number	548-42-5	Molecular Weight	238.32800
Density	1.161g/cm3	Boiling Point	422.5ºC at 760mmHg
Molecular Formula	C₁₆H₁₈N₂	Melting Point	/
MSDS	/	Flash Point	209.3ºC

Names

Name	agroclavine
Synonym	More Synonyms

AGROCLAVIN BiologicalActivity

Description	Agroclavine is a natural, clavine type of ergot alkaloid. Agroclavine is a D1 dopamine receptor and α1-adrenoceptor agonist. Agroclavine also has anticancer and antimicrobial activities[1][2].
Related Catalog	Research Areas >>CancerResearch Areas >>InfectionSignaling Pathways >>GPCR/G Protein >>Dopamine ReceptorSignaling Pathways >>GPCR/G Protein >>Adrenergic ReceptorSignaling Pathways >>Neuronal Signaling >>Dopamine Receptor
Target	D1 Receptor α1-adrenergic receptor
References	[1]. Starec M, et al. Effect of agroclavine on NK activity in vivo under normal and stress conditions in rats. Physiol Res. 2001;50(5):513-9. [2]. Eich E, et al. Antimicrobial activity of clavines. Arzneimittelforschung. 1985;35(12):1760-2.

Chemical & Physical Properties

Density	1.161g/cm3
Boiling Point	422.5ºC at 760mmHg
Molecular Formula	C₁₆H₁₈N₂
Molecular Weight	238.32800
Flash Point	209.3ºC
Exact Mass	238.14700
PSA	19.03000
LogP	3.00580
Index of Refraction	1.653
InChIKey	XJOOMMHNYOJWCZ-UHFFFAOYSA-N
SMILES	CC1=CC2c3cccc4[nH]cc(c34)CC2N(C)C1

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: KE6325000

CHEMICAL NAME :: Ergoline, 8,9-didehydro-6,8-dimethyl-

CAS REGISTRY NUMBER :: 548-42-5

BEILSTEIN REFERENCE NO. :: 0024966

LAST UPDATED :: 199709

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C16-H18-N2

MOLECULAR WEIGHT :: 238.36

WISWESSER LINE NOTATION :: T C6656 1A P GN LM DUTT&&J E1 G1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 25500 ug/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Behavioral - excitement Lungs, Thorax, or Respiration - cyanosis

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 50 mg/kg

SEX/DURATION :: female 1-5 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated)

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 20 mg/kg

SEX/DURATION :: female 3-4 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - other measures of fertility

MUTATION DATA

TYPE OF TEST :: Mutation in microorganisms

TEST SYSTEM :: Bacteria - Salmonella typhimurium

DOSE/DURATION :: 2 umol/plate

REFERENCE :: CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 47,1811,1987

Safety Information

HS Code	2933990090

Customs

HS Code	2933990090
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Synonyms

8,9-didehydro-6,8-dimethyl-ergolin

ERGOLINE,8,9-DIDEHYDRO-6,8-DIMETHYL

Indolo[4,3-fg]quinoline, 4,6,6a,7,8,10a-hexahydro-7,9-dimethyl-

6,8-Dimethyl-8,9-didehydro-ergolin

6,8-dimethyl-8,9-didehydro-ergoline

AGROCLAVINE

8,9-didehydro-6,8-dimethylergoline

Recommended......