AGROCLAVIN

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Names

[ CAS No. ]:
548-42-5

[ Name ]:
AGROCLAVIN

[Synonym ]:
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

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

MSDS

Click to get detail MSDS

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

Precursor & DownStream

Precursor

DownStream

  • MAGR

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%

Related Compounds

  • Agroclavin I
  • 1-[(3-chlorobenzyl)thio]-7-fluoro-4-propyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
  • ethyl 4-(2-(6-methyl-2H-benzo[b][1,4]oxazin-4(3H)-yl)-2-oxoethoxy)-2-phenylquinoline-6-carboxylate
  • 2-Methyl-3-(thiazol-4-yl)propanoic acid
  • 4-isobutyl-N-isopropyl-1-((2-((4-methylbenzyl)amino)-2-oxoethyl)thio)-5-oxo-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
  • 1-({2-[(3,5-dimethylphenyl)amino]-2-oxoethyl}thio)-4-isobutyl-N-isopropyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
  • 4-benzyl-N-isopropyl-1-((4-methylbenzyl)thio)-5-oxo-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
  • 2-(cyanomethyl)-N-cyclohexyl-4-isobutyl-1,5-dioxo-1,2,4,5-tetrahydro-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
  • 4-Ethyl-1-(piperazin-1-yl)cyclohexane-1-carboxamide
  • 2-(2-chloro-6-fluorobenzyl)-N-cyclohexyl-1,5-dioxo-4-propyl-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
  • 2-(2-(benzylamino)-2-oxoethyl)-N-cyclohexyl-4-isopropyl-1,5-dioxo-1,2,4,5-tetrahydro-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
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