CAS 63238-67-5|Benzoylmesaconine

Introduction：Basic information about CAS 63238-67-5|Benzoylmesaconine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Benzoylmesaconine BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Synonyms

Common Name	Benzoylmesaconine
CAS Number	63238-67-5	Molecular Weight	589.674
Density	1.4±0.1 g/cm3	Boiling Point	703.2±60.0 °C at 760 mmHg
Molecular Formula	C₃₁H₄₃NO₁₀	Melting Point	/
MSDS	/	Flash Point	379.1±32.9 °C

Names

Name	Benzoylmesaconine
Synonym	More Synonyms

Benzoylmesaconine BiologicalActivity

Description	Benzoylmesaconine is the most abundant component of Wutou decoction, which is widely used in China because of its therapeutic effect on rheumatoid arthritis.
Related Catalog	Signaling Pathways >>Others >>OthersNatural Products >>AlkaloidResearch Areas >>Others
References	[1]. Dai PM, et al. Pharmacokinetic comparisons of benzoylmesaconine in rats using ultra-performance liquid chromatography-tandem mass spectrometry after administration of pure benzoylmesaconine and Wutou decoction. Molecules. 2014 Oct 17;19(10):16757-69. [2]. Ye L, et al. Monoester-Diterpene Aconitum Alkaloid Metabolism in Human Liver Microsomes: Predominant Role of CYP3A4 and CYP3A5. Evid Based Complement Alternat Med. 2013;2013:941093.

Description

Benzoylmesaconine is the most abundant component of Wutou decoction, which is widely used in China because of its therapeutic effect on rheumatoid arthritis.

Related Catalog

Signaling Pathways >>Others >>OthersNatural Products >>AlkaloidResearch Areas >>Others

References

[1]. Dai PM, et al. Pharmacokinetic comparisons of benzoylmesaconine in rats using ultra-performance liquid chromatography-tandem mass spectrometry after administration of pure benzoylmesaconine and Wutou decoction. Molecules. 2014 Oct 17;19(10):16757-69.

[2]. Ye L, et al. Monoester-Diterpene Aconitum Alkaloid Metabolism in Human Liver Microsomes: Predominant Role of CYP3A4 and CYP3A5. Evid Based Complement Alternat Med. 2013;2013:941093.

Chemical & Physical Properties

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
InChIKey	PULWZCUZNRVAHT-UHFFFAOYSA-N
SMILES	COCC12CN(C)C3C4C(OC)C1C3(C(OC)CC2O)C1CC2(O)C(OC)C(O)C4(O)C1C2OC(=O)c1ccccc1
Storage condition	2~8℃

Toxicological Information

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

Safety Information

Hazard Codes	Xi

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)-

Recommended......