Yunaconitine

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Names

[ CAS No. ]:
70578-24-4

[ Name ]:
Yunaconitine

[Synonym ]:
Benzoic acid, 4-methoxy-, (1α,3α,6α,14α,16β)-8-(acetyloxy)-20-ethyl-3,13-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl ester
yunnaconitine
(1α,3α,6α,14α,16β)-8-(acetyloxy)-20-ethyl-3,13-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl 4-methoxybenzoate
yunacotinine
Yunaconitine
(1α,3α,6α,14α,16β)-8-Acetoxy-20-ethyl-3,13-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl 4-methoxybenzoate

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
722.8±60.0 °C at 760 mmHg

[ Melting Point ]:
142-144ºC

[ Molecular Formula ]:
C35H49NO11

[ Molecular Weight ]:
659.764

[ Flash Point ]:
390.9±32.9 °C

[ Exact Mass ]:
659.330566

[ PSA ]:
142.45000

[ LogP ]:
0.61

[ Vapour Pressure ]:
0.0±2.5 mmHg at 25°C

[ Index of Refraction ]:
1.599

[ Storage condition ]:
2-8℃

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AR5566500
CHEMICAL NAME :
Aconitane-3,8,13,14-tetrol, 20-ethyl-4-(methoxymethyl)-1,6,16-trimethoxy-, 8-acetate 14- (4-methoxybenzoate), (1-alpha,3-alpha,6-alpha,14-alpha,16-beta)-
CAS REGISTRY NUMBER :
70578-24-4
LAST UPDATED :
199412
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C35-H49-N-O11
MOLECULAR WEIGHT :
659.85

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
50 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 14,872,1989
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
585 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 14,872,1989
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
260 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JOETD7 Journal of Ethnopharmacology. (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1979- Volume(issue)/page/year: 4,247,1981
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
50 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JOETD7 Journal of Ethnopharmacology. (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1979- Volume(issue)/page/year: 4,247,1981
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
30 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JOETD7 Journal of Ethnopharmacology. (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1979- Volume(issue)/page/year: 4,247,1981

Precursor & DownStream

Precursor

DownStream

  • Crassicauline A

Related Compounds

  • 8-Deacetylyunaconitine
  • 3-O-(imidazolylthiocarbonyl)-yunaconitine
  • 1-(4,5-Dihydro-1,2-oxazol-3-yl)-2-methylpropan-1-amine
  • N-tert-butyl-2-{[6-methyl-4-oxo-3-(propan-2-yl)-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
  • 4-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylisoquinolin-1(2H)-one
  • 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methoxyphenyl)isoquinolin-1(2H)-one
  • 4-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methoxyphenyl)isoquinolin-1(2H)-one
  • 4-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methoxyphenyl)isoquinolin-1(2H)-one
  • 4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methoxyphenyl)isoquinolin-1(2H)-one
  • 4-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methoxyphenyl)isoquinolin-1(2H)-one
  • 2-(4-methoxyphenyl)-4-(3-(4-(methylthio)phenyl)-1,2,4-oxadiazol-5-yl)isoquinolin-1(2H)-one
  • 4-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(3-methoxyphenyl)isoquinolin-1(2H)-one