jesaconitine

Modify Date: 2024-01-18 11:25:55

jesaconitine structure	Common Name	jesaconitine
	CAS Number	16298-90-1	Molecular Weight	675.76
	Density	1.37g/cm3	Boiling Point	748.1ºC at 760 mmHg
	Molecular Formula	C₃₅H₄₉NO₁₂	Melting Point	N/A
	MSDS	N/A	Flash Point	406.2ºC

Use of jesaconitine

Jesaconitine is a toxic alkaloid. Jesaconitine can be derived from Aconitum. Jesaconitine is one of the major metabolites that can be detected in the blood of the right atrium after aconitum poisoning. Various types of arrhythimia are characteristic in aconitine intoxication[1].

Name	(1α,3α,6α,14α,15α,16β)-8-Acetoxy-20-ethyl-3,13,15-trihydroxy-1,6, 16-trimethoxy-4-(methoxymethyl)aconitan-14-yl 4-methoxybenzoate
Synonym	More Synonyms

Description	Jesaconitine is a toxic alkaloid. Jesaconitine can be derived from Aconitum. Jesaconitine is one of the major metabolites that can be detected in the blood of the right atrium after aconitum poisoning. Various types of arrhythimia are characteristic in aconitine intoxication[1].
Related Catalog	Research Areas >> Cardiovascular Disease Signaling Pathways >> Others >> Others
References	[1]. Natori Y, et al. A simple and rapid method for quantifying aconitines and their metabolites in whole blood by modified QuEChERS and liquid chromatography/tandem mass spectrometry (LC/MS/MS). Forensic Sci Int. 2022 Dec;341:111475.

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

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

acetic acid

CAS#:64-19-7

secojesaconitine

CAS#:119212-27-0

jesaconitine

CAS#:16298-90-1

Literature: Chemical and Pharmaceutical Bulletin, , vol. 36, # 4 p. 1604 - 1606

Precursor 1
CAS#:64-19-7 acetic acid
DownStream 4
CAS#:101247-23-8 Aljesaconitine A CAS#:134249-82-4 3-O-Anisoyljesa... CAS#:119212-25-8 3-Acetyljesaconitine CAS#:121923-73-7 14-Anisoylaconine