CAS 107668-79-1|Bulleyaconitine A

Introduction：Basic information about CAS 107668-79-1|Bulleyaconitine A, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

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

Common Name	Bulleyaconitine A
CAS Number	107668-79-1	Molecular Weight	627.765
Density	1.3±0.1 g/cm3	Boiling Point	690.9±55.0 °C at 760 mmHg
Molecular Formula	C₃₅H₄₉NO₉	Melting Point	/
MSDS	USA	Flash Point	371.7±31.5 °C
Symbol	GHS06	Signal Word	Danger

Names

Name	Bulleyaconitine A
Synonym	More Synonyms

Bulleyaconitine A BiologicalActivity

Description	Bulleyaconitine A is an analgesic and antiinflammatory drug isolated from Aconitum plants; has several potential targets, including voltage-gated Na+ channels.
Related Catalog	Signaling Pathways >>Membrane Transporter/Ion Channel >>Sodium ChannelNatural Products >>AlkaloidResearch Areas >>Neurological Disease
References	[1]. Wang CF, et al. Use of bulleyaconitine A as an adjuvant for prolonged cutaneous analgesia in the rat. Anesth Analg. 2008 Oct;107(4):1397-405. [2]. Wang CF, et al. Bulleyaconitine A isolated from aconitum plant displays long-acting local anesthetic properties in vitro and in vivo. Anesthesiology. 2007 Jul;107(1):82-90. [3]. Weng WY, et al. A pharmacokinetic study of intramuscular administration of bulleyaconitine A in healthy volunteers. Biol Pharm Bull. 2005 Apr;28(4):747-9.

Description

Bulleyaconitine A is an analgesic and antiinflammatory drug isolated from Aconitum plants; has several potential targets, including voltage-gated Na+ channels.

Related Catalog

Signaling Pathways >>Membrane Transporter/Ion Channel >>Sodium ChannelNatural Products >>AlkaloidResearch Areas >>Neurological Disease

References

[1]. Wang CF, et al. Use of bulleyaconitine A as an adjuvant for prolonged cutaneous analgesia in the rat. Anesth Analg. 2008 Oct;107(4):1397-405.

[2]. Wang CF, et al. Bulleyaconitine A isolated from aconitum plant displays long-acting local anesthetic properties in vitro and in vivo. Anesthesiology. 2007 Jul;107(1):82-90.

[3]. Weng WY, et al. A pharmacokinetic study of intramuscular administration of bulleyaconitine A in healthy volunteers. Biol Pharm Bull. 2005 Apr;28(4):747-9.

Chemical & Physical Properties

Density	1.3±0.1 g/cm3
Boiling Point	690.9±55.0 °C at 760 mmHg
Molecular Formula	C₃₅H₄₉NO₉
Molecular Weight	627.765
Flash Point	371.7±31.5 °C
Exact Mass	627.340759
PSA	112.99000
LogP	1.05
Vapour Pressure	0.0±2.3 mmHg at 25°C
Index of Refraction	1.590
InChIKey	YRECILNLFWZVRM-LEFQGHDVSA-N
SMILES	CCN1CC2(COC)CCC(OC)C34C5CC6(O)C(OC)CC(OC(C)=O)(C5C6C(=O)c5ccc(OC)cc5)C(C(OC)C23)C14

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: PC4932000

CHEMICAL NAME :: Methanone, ((1-alpha,6-alpha,14-alpha,16-beta)-8-(acetyloxy)-20- ethyl-13-hydroxy-1,6, 16- trimethoxy-4-(methoxymethyl)aconitan-14-yl)(4-methoxy phenyl)-

CAS REGISTRY NUMBER :: 107668-79-1

LAST UPDATED :: 199503

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C35-H49-N-O9

MOLECULAR WEIGHT :: 627.85

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 510 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: ZYZAEU Zhongguo Yaoxue Zazhi. Chinese Pharmacuetical Journal. (China International Book Trading Corp., POB 2820, Beijing, Peop. China) V.24- 1989- Volume(issue)/page/year: 28,378,1993

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 920 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: ZYZAEU Zhongguo Yaoxue Zazhi. Chinese Pharmacuetical Journal. (China International Book Trading Corp., POB 2820, Beijing, Peop. China) V.24- 1989- Volume(issue)/page/year: 28,378,1993

Safety Information

Symbol	GHS06
Signal Word	Danger
Hazard Statements	H300 + H330
Precautionary Statements	P260-P284-P301 + P310 + P330-P304 + P340 + P310-P403 + P233
Hazard Codes	Xi
RIDADR	UN 1544PSN1 6.1 / PGII

Synonyms

(1α,6α,7β,14α,16β)-20-Ethyl-13-hydroxy-1,6,16-trimethoxy-14-(4-methoxybenzoyl)-4-(methoxymethyl)aconitan-8-yl acetate

BULLEYACONITINE A: METHANONE,[(1,6,14,16)-8-(ACETYLOXY)-20-ETHYL-13-HYDROXY-1,6,16-TRIMETHOXY-4-(METHOXYMETHYL)ACONITAN-14-YL](4-METHOXYPHENYL)

BULLEYACONITINE A(RG)

16-trimethoxy-4-(methoxymethyl)aconitan-14-yl)(4-methoxyphenyl)-y-6

BulleyaconicineA

20-Ethyl-13-hydroxy-1,6,16-trimethoxy-14-(4-methoxybenzoyl)-4-(methoxymethyl)aconitan-8-yl acetate

Methanone, [8-(acetyloxy)-20-ethyl-13-hydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl](4-methoxyphenyl)-

Methanone, [(1α,6α,7β,14α,16β)-8-(acetyloxy)-20-ethyl-13-hydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl](4-methoxyphenyl)-

BULLEYACONITINE A(P)

METHANONE,[(1,6,14,16)-8-(ACETYLOXY)-20-ETHYL-13-HYDROXY-1,6,16-TRIMETHOXY-4-(METHOXYMETHYL)ACONITAN-14-YL](4-METHOXYPHENYL)

20-ethyl-13-hydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl](4-methoxyphenyl)

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