Hypaconitine

Suppliers

Names

[ CAS No. ]:
6900-87-4

[ Name ]:
Hypaconitine

[Synonym ]:
Japaconitine C1
HYPACONITINE (PRIMARY STANDARD)
Aconitane-8,13,14,15-tetrol, 1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate 14-benzoate, (1α,6α,14α,15α,16β)-
Japaconitine B1
(1α,6α,14α,15α,16β)-8-(acetyloxy)-13,15-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)-20-methylaconitan-14-yl benzoate
DEOXYMESACONITINE
15-tetraol,16,16-trimethoxy-4-(methoxymethyl)-20-methyl-18-aconitane-14
(1α,6α,14α,15α,16β)-8-Acetoxy-13,15-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)-20-methylaconitan-14-yl benzoate
Japaconitine C

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
671.3±55.0 °C at 760 mmHg

[ Molecular Formula ]:
C33H45NO10

[ Molecular Weight ]:
615.711

[ Flash Point ]:
359.8±31.5 °C

[ Exact Mass ]:
615.304321

[ PSA ]:
133.22000

[ LogP ]:
0.92

[ Vapour Pressure ]:
0.0±2.2 mmHg at 25°C

[ Index of Refraction ]:
1.607

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AR5565000
CHEMICAL NAME :
Aconitane-8,13,14,15-tetraol, 16,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate benzoate, (1-alpha,6-alpha,14-alpha,15-alpha,16-beta)-
CAS REGISTRY NUMBER :
6900-87-4
LAST UPDATED :
199412
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C33-H45-N-O10
MOLECULAR WEIGHT :
615.79

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 :
5800 ug/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 :
1010 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: 2,170,1981
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1900 ug/kg
TOXIC EFFECTS :
Behavioral - ataxia Lungs, Thorax, or Respiration - other changes
REFERENCE :
JOETD7 Journal of Ethnopharmacology. (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1979- Volume(issue)/page/year: 35,159,1991
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
470 ug/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

Safety Information

[ Symbol ]:

GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H300

[ Precautionary Statements ]:
P301 + P310 + P330

[ Safety Phrases ]:
24/25

[ RIDADR ]:
UN 1544

[ Packaging Group ]:
I

[ Hazard Class ]:
6.1(a)

[ HS Code ]:
29399990

Synthetic Route

Precursor & DownStream

Precursor

  • 3-O-(imidazolylthiocarbonyl)-mesaconitine
  • N-desethylaconitine
  • Mesaconitine
  • Aconitine
  • 3-O-(S-methyl)thiocarbonylmesaconitine

DownStream

  • acetic acid
  • benzoic acid

Related Compounds

  • Hypaconitine hydrobromide