ACONINE

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Names

[ CAS No. ]:
509-20-6

[ Name ]:
ACONINE

[Synonym ]:
(1a,3a,6a,14a,15a,16b)-20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-3,8,13,14,15-pentol
ACONINE
Aconitane-3,8,13,14,15-pentol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, (1α,3α,6α,14α,15α,16β)-
(1α,3α,6α,14α,15α,16β)-20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-3,8,13,14,15-pentol
Jesaconine
Aconitysat

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
626.1±55.0 °C at 760 mmHg

[ Melting Point ]:
129-131ºC

[ Molecular Formula ]:
C25H41NO9

[ Molecular Weight ]:
499.594

[ Flash Point ]:
332.4±31.5 °C

[ Exact Mass ]:
499.278137

[ PSA ]:
141.31000

[ LogP ]:
-1.63

[ Vapour Pressure ]:
0.0±4.1 mmHg at 25°C

[ Index of Refraction ]:
1.624

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AR5560000
CHEMICAL NAME :
Aconitane-3,8,13,14,15-pentol, 20-ethyl-4-(methoxymethyl)-1,16,16-trimethoxy-, (1-alpha,3-alpha,6-alpha,14-alpha,15-alpha,16-beta)-
CAS REGISTRY NUMBER :
509-20-6
BEILSTEIN REFERENCE NO. :
0060864
LAST UPDATED :
199612
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C25-H41-N-O9
MOLECULAR WEIGHT :
499.67

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
374 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
YHHPAL Yaoxue Xuebao. Acta Pharmaceutica Sinica. Pharmaceutical Journal. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.1- 1953- Suspended 1966-78. Volume(issue)/page/year: 19,641,1984
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
117 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
YHHPAL Yaoxue Xuebao. Acta Pharmaceutica Sinica. Pharmaceutical Journal. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.1- 1953- Suspended 1966-78. Volume(issue)/page/year: 19,641,1984
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
400 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 5,324,1955
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
275 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 5,324,1955

Related Compounds

  • benzoylaconine
  • 14-Anisoylaconine
  • Aconine hydrochloride dihydrate
  • 1-(4-hydroxybutan-2-yl)-5-(methoxymethyl)-1H-1,2,3-triazole-4-carboxamide
  • 3,3-dimethyl-1H,2H,3H,6H,7H,8H-pyrano[2,3-f]indole
  • 1-(2-hydroxypropyl)-5-propyl-1H-1,2,3-triazole-4-carboxamide
  • 2-(Dimethyl-1,3-oxazol-2-yl)acetaldehyde
  • 2-chloro-N-(4-oxo-1,4lambda6-oxathian-4-ylidene)acetamide
  • methyl 3-(5-methyl-2H-1,2,3-triazol-4-yl)prop-2-ynoate
  • 5-ethyl-1-(3-methoxy-2-methylpropyl)-1H-1,2,3-triazole-4-carboxamide
  • 1-(Pyrrolidine-3-carbonyl)azetidine-2-carboxamide
  • 3-(2-Cyclopropylacetamido)-5-hydroxybenzoic acid
  • 3-[3-(4-Methylpiperidin-1-yl)cyclobutyl]prop-2-ynoic acid
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