jesaconitine

Suppliers

Names

[ CAS No. ]:
16298-90-1

[ Name ]:
jesaconitine

[Synonym ]:
N-Desethyl-N-Methylaconitine
Mesaaconitine
Japaconitine A
Japaconitine B
Jesaconitine

Chemical & Physical Properties

[ Density]:
1.37g/cm3

[ Boiling Point ]:
748.1ºC at 760 mmHg

[ Molecular Formula ]:
C35H49NO12

[ Molecular Weight ]:
675.76

[ Flash Point ]:
406.2ºC

[ Exact Mass ]:
675.32500

[ PSA ]:
162.68000

[ LogP ]:
0.59460

[ Vapour Pressure ]:
1.66E-23mmHg at 25°C

[ Index of Refraction ]:
1.608

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AR5562540
CHEMICAL NAME :
Aconitane-3,8,13,14,15-pentol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 8-acetate 14-(4-methoxybenzoate), (1-alpha,3-alpha,6-alpha,14-alpha,15-alpha,16-beta)-
CAS REGISTRY NUMBER :
16298-90-1
BEILSTEIN REFERENCE NO. :
0075405
LAST UPDATED :
199612
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C35-H49-N-O12
MOLECULAR WEIGHT :
675.85

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 :
350 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CTYAD8 Zhongcaoyao. Chinese Traditional and Herbal Medicine. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.11- 1980- Volume(issue)/page/year: 15,180,1984
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
230 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CPBTAL Chemical and Pharmaceutical Bulletin. (Japan Pub. Trading Co., USA, 1255 Howard St., San Francisco, CA 94103) V.6- 1958- Volume(issue)/page/year: 39,379,1991
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
80 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
YAKUD5 Gekkan Yakuji. Pharmaceuticals Monthly. (Yakugyo Jihosha, Inaoka Bldg., 2-36 Jinbo-cho, Kanda, Chiyoda-ku, Tokyo 101, Japan) V.1- 1959- Volume(issue)/page/year: 23,873,1981
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
50 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
YAKUD5 Gekkan Yakuji. Pharmaceuticals Monthly. (Yakugyo Jihosha, Inaoka Bldg., 2-36 Jinbo-cho, Kanda, Chiyoda-ku, Tokyo 101, Japan) V.1- 1959- Volume(issue)/page/year: 23,873,1981
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
30 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
YAKUD5 Gekkan Yakuji. Pharmaceuticals Monthly. (Yakugyo Jihosha, Inaoka Bldg., 2-36 Jinbo-cho, Kanda, Chiyoda-ku, Tokyo 101, Japan) V.1- 1959- Volume(issue)/page/year: 23,873,1981

Synthetic Route

Precursor & DownStream

Precursor

  • acetic acid

DownStream

  • Aljesaconitine A
  • 3-O-Anisoyljesaconitine
  • 3-Acetyljesaconitine
  • 14-Anisoylaconine

Related Compounds

  • Jesaconitine perchlorate