Avarol

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Names

[ CAS No. ]:
55303-98-5

[ Name ]:
Avarol

[Synonym ]:
Avarol
2-{[(1r,2s,4as,8as)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl]methyl}benzene-1,4-diol
(1R-(1alpha,2beta,4abeta,8abeta))-2-((1,2,3,4,4a,7,8,8a-Octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl)-1,4-benzenediol
Avrol

Chemical & Physical Properties

[ Density]:
1.055g/cm3

[ Boiling Point ]:
449.5ºC at 760 mmHg

[ Molecular Formula ]:
C21H30O2

[ Molecular Weight ]:
314.46200

[ Flash Point ]:
200ºC

[ Exact Mass ]:
314.22500

[ PSA ]:
40.46000

[ LogP ]:
5.43910

[ Index of Refraction ]:
1.552

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CZ9026700
CHEMICAL NAME :
1,4-Benzenediol, 2-((1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl- 1-naphthalenyl) methyl)-, (1R-(1-alpha,2-beta,4a-beta,8a-alpha))-
CAS REGISTRY NUMBER :
55303-98-5
LAST UPDATED :
199406
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C21-H30-O2
MOLECULAR WEIGHT :
314.51

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 :
269 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
DNA inhibition
TEST SYSTEM :
Rodent - mouse Cells - not otherwise specified
DOSE/DURATION :
3800 nmol/L
REFERENCE :
EJCODS European Journal of Cancer and Clinical Oncology. (Pergamon Press, c/o Elsevier Science, 660 White Plains Rd., Tarrytown, NY 10591) V.17(7)- 25, 1981-89. For publisher information, see EJCAEL Volume(issue)/page/year: 22,473,1986

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-(pyridin-2-ylthio)-3-(((1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl)methyl)cyclohexa-2,5-diene-1,4-dione
  • Avarone
  • (4aS,5R,6S,8aS)-5-(2,5-dimethoxybenzyl)-5,6,8a-trimethyloctahydronaphthalen-1(2H)-one
  • 2,5-dimethoxybenzyl alcohol
  • 2,5-Dimethoxybenzylbromide
  • (8aS)-5,8a-dimethyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-dione

DownStream

Related Compounds

  • Avarol F
  • Avarol-diacetat
  • avarol monoacetate
  • 2-Chloro-3-methyl-7-quinolinamine
  • 4-Bromothieno[3,2-d]pyrimidin-7-amine
  • N,N-Dimethyl-I+/--(phenoxymethyl)benzenemethanamine
  • 2-[(3S,4R)-4-methyl-2,6-dioxopiperidin-3-yl]-2,3-dihydro-1H-isoindole-1,3-dione
  • 6-(4-Amino-2,6-dichlorophenoxy)-4-methyl-3(2H)-pyridazinone
  • tert-butyl N-(1-cyanoethyl)-N-ethylcarbamate
  • 1,3-Dioxolan-4-one, 2-ethyl-5-(4-hydroxyphenyl)-
  • 2-(2-Fluorobenzoyl)-1,4-benzenedicarboxylic acid
  • Phenol, 2,3,4,5,6-pentafluoro-, 1-(3-aminobenzoate)
  • 3-[(Trifluoromethyl)thio]-2-propenamide
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