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Substance Name: Bulleyaconitine A
RN: 107668-79-1
UNII: 7VFN6Z3BRE
InChIKey: GAZDXIGXYWVWQX-UQFGUHEISA-N

Note

  • Isolated from Aconitum bulleyanum Diel.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C35-H49-N-O9

Molecular Weight

  • 643.7691
 
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Names and Synonyms

Name of Substance

  • Bulleyaconitine A

Synonyms

  • Bulleyaconitine A
  • UNII-7VFN6Z3BRE

Systematic 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-methoxyphenyl)-

Registry Numbers

CAS Registry Number

  • 107668-79-1

FDA UNII

  • 7VFN6Z3BRE

System Generated Number

  • 0107668791

Structure Descriptors

InChI

1S/C35H49NO10/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(46-19(2)37,26(29(35)36)27(44-7)28(32)35)25(22)30(33)45-31(38)20-9-11-21(41-4)12-10-20/h9-12,22-30,39H,8,13-18H2,1-7H3/t22-,23+,24+,25-,26?,27+,28-,29-,30-,32+,33+,34-,35+/m1/s1

InChIKey

GAZDXIGXYWVWQX-UQFGUHEISA-N

Smiles

CC[N@]1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@H](C([C@H]31)[C@]5(C[C@@H]([C@]6(C[C@@H]4[C@@H]5[C@H]6OC(=O)c7ccc(cc7)OC)O)OC)OC(=O)C)OC)OC)COC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 920ug/kg (0.92mg/kg)   Zhongguo Yaoxue Zazhi. Chinese Pharmacuetical Journal. Vol. 28, Pg. 378, 1993.
rat LD50 subcutaneous 510ug/kg (0.51mg/kg)   Zhongguo Yaoxue Zazhi. Chinese Pharmacuetical Journal. Vol. 28, Pg. 378, 1993.