Gefarnate

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Names

[ CAS No. ]:
51-77-4

[ Name ]:
Gefarnate

[Synonym ]:
Gepharnate
arsanyl
(2E)-3,7-Dimethylocta-2,6-dien-1-yl (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoate
Gefanil
Gefarnate [INN:BAN:JAN]
(E)-Geranyl (E,E)-farnesylacetate
Gefarnyl
Osteol
EINECS 200-121-0
trans-(4,5),trans-(8,9)-Farnesylessigsaeure-geranylester
Gefarnate
(2E)-3,7-Dimethyl-2,6-octadien-1-yl (4E,8E)-5,9,13-trimethyl-4,8,12-tetradecatrienoate
(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoic acid [(2E)-3,7-dimethylocta-2,6-dienyl] ester
DA-688
Gefarnato [INN-Spanish]
Geranyl farnesylacetate
5,9,13-Trimethyl-4,8,12-tetradecatrienoic acid 3,7-dimethyl-2,6-octadienyl ester
(4E,8E)-Farnesylacetic acid geranyl ester
Gefarnil
Gefarnatum [INN-Latin]
4,8,12-Tetradecatrienoic acid, 5,9,13-trimethyl-, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester, (4E,8E)-

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
484.7±34.0 °C at 760 mmHg

[ Melting Point ]:
25°C

[ Molecular Formula ]:
C27H44O2

[ Molecular Weight ]:
400.637

[ Flash Point ]:
93.3±24.0 °C

[ Exact Mass ]:
400.334137

[ PSA ]:
26.30000

[ LogP ]:
10.53

[ Vapour Pressure ]:
0.0±1.2 mmHg at 25°C

[ Index of Refraction ]:
1.489

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XB8890000
CHEMICAL NAME :
4,8,12-Tetradecatrienoic acid, 5,9,13-trimethyl-, 3,7-dimethyl-2,6-octadienyl ester, (E,E,E)-
CAS REGISTRY NUMBER :
51-77-4
LAST UPDATED :
199701
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C27-H44-O2
MOLECULAR WEIGHT :
400.71
WISWESSER LINE NOTATION :
1Y1&U3Y1&U3Y1&U3VO2UY1&3UY1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>9 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,266,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2040 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,266,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>13500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,266,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>8 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 6,457,1963
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>4 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 6,457,1963
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2821 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 6,457,1963
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>13500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,266,1982

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • (E)-Geranyl α-(E,E)-farnesyl-α-p-tolylsulfonylacetate
  • Geraniol
  • (E,E)-3,7,11-trimethyl-2,6,10-dodecatrienyl bromide
  • 3,7-dimethylocta-2,6-dienyl 2-chloroacetate
  • (E)-Geranyl p-toluenesufonylacetate

DownStream

Related Compounds

  • Gefarnate mixt. with Valium
  • 6-Bromo-7-[(2-bromo-5-chlorophenyl)methoxy]-3,4-dihydro-1(2h)-naphthalenone
  • N-Desmethylsildenafil citrate
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine