N-deacetyllappaconitine

Modify Date: 2025-08-19 21:09:41

N-deacetyllappaconitine Structure
N-deacetyllappaconitine structure
Common Name N-deacetyllappaconitine
CAS Number 11033-64-0 Molecular Weight 542.664
Density 1.4±0.1 g/cm3 Boiling Point 650.9±55.0 °C at 760 mmHg
Molecular Formula C30H42N2O7 Melting Point N/A
MSDS N/A Flash Point 347.5±31.5 °C

 Names

Name Aconitane-4,8,9-triol,20-ethyl-1,14,16-trimethoxy-, 4-(2-aminobenzoate), (1a,14a,16b)
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.4±0.1 g/cm3
Boiling Point 650.9±55.0 °C at 760 mmHg
Molecular Formula C30H42N2O7
Molecular Weight 542.664
Flash Point 347.5±31.5 °C
Exact Mass 542.299194
PSA 123.71000
LogP 2.52
Vapour Pressure 0.0±2.0 mmHg at 25°C
Index of Refraction 1.636
InChIKey VSUODASNSRJNCP-BXUVZERWSA-N
SMILES CCN1CC2(OC(=O)c3ccccc3N)CCC(OC)C34C1C(CC23)C1(O)CC(OC)C2CC4C1(O)C2OC

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
OE5784120
CHEMICAL NAME :
Lappaconitine, deacetyl-
CAS REGISTRY NUMBER :
11033-64-0
LAST UPDATED :
198803
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C30-H42-N2-O7
MOLECULAR WEIGHT :
542.74

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
29900 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CYLPDN Zhongguo Yaoli Xuebao. Acta Pharmacologica Sinica. Chinese Journal of Pharmacology. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.1- 1980- Volume(issue)/page/year: 8,301,1987
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
23500 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CYLPDN Zhongguo Yaoli Xuebao. Acta Pharmacologica Sinica. Chinese Journal of Pharmacology. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.1- 1980- Volume(issue)/page/year: 8,301,1987

 Safety Information

Hazard Codes Xi

 Synonyms

(1α,14α,16β)-20-Ethyl-8,9-dihydroxy-1,14,16-trimethoxyaconitan-4-yl 2-aminobenzoate
p-Tyramine hydrochloride
puberanidine
Tyrosamine hydrochloride
N-deacetyllappoconitine
picrolappaconitine
4-Hydroxyphenethylamine hydrochloride
p-Tryamine hydrochloride
Tyramine monochloride
tyramine hydrogen chloride
4-hydroxyphenylethylamine hydrochloride
N-deacetyllappaconitine
Tyramine HCL
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