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63238-67-5

63238-67-5 structure
63238-67-5 structure
  • Name: Benzoylmesaconine
  • Chemical Name: Benzoylmesaconine
  • CAS Number: 63238-67-5
  • Molecular Formula: C31H43NO10
  • Molecular Weight: 589.674
  • Catalog: Biochemical Plant extracts
  • Create Date: 2018-06-28 11:15:23
  • Modify Date: 2024-01-02 11:39:25
  • Benzoylmesaconine is the most abundant component of Wutou decoction, which is widely used in China because of its therapeutic effect on rheumatoid arthritis.

Name Benzoylmesaconine
Synonyms Benzoylmesaconitine
(1α,3α,6α,14α,15α,16β)-3,8,13,15-Tetrahydroxy-1,6,16-trimethoxy-4-(methoxymethyl)-20-methylaconitan-14-yl benzoate
O8-Deacetylmesaconitine
Mesaconine 14-benzoate
8-Deacetylmesaconitine
Benzoylmesaconine
Aconitane-3,8,13,14,15-pentol, 1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 14-benzoate, (1α,3α,6α,14α,15α,16β)-
Density 1.4±0.1 g/cm3
Boiling Point 703.2±60.0 °C at 760 mmHg
Molecular Formula C31H43NO10
Molecular Weight 589.674
Flash Point 379.1±32.9 °C
Exact Mass 589.288696
PSA 147.38000
LogP 0.37
Vapour Pressure 0.0±2.3 mmHg at 25°C
Index of Refraction 1.637
Storage condition 2~8℃

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AR5562770
CHEMICAL NAME :
Aconitane-3,8,13,14,15-pentol, 4-(methoxymethyl)-20-methyl-1,6,16-trimethoxy-, 14-benzoate, (1-alpha,3-alpha,6-alpha,14-alpha,15-alpha,16-beta)-
CAS REGISTRY NUMBER :
63238-67-5
BEILSTEIN REFERENCE NO. :
0072534
LAST UPDATED :
199612
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C31-H43-N-O10
MOLECULAR WEIGHT :
589.75

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
810 mg/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 :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
240 mg/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 :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
230 mg/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 :
21 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JJTOEX Japanese Journal of Toxicology. (Yakugyo Jihosha, Hokushin Bldg., 2-36 Jinbo-cho, Kanda, Chiyoda-ku, Tokyo, 101, Japan) V.1- 1988- Volume(issue)/page/year: 2,225,1989
Hazard Codes Xi