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Substance Name: Benzoylhypaconine
RN: 63238-66-4
InChIKey: MDFCJNFOINXVSU-LUOWNJJZSA-N

Note

  • Aconitum alkaloid in serum.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H43-N-O9

Molecular Weight

  • 573.6787
 
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Names and Synonyms

Name of Substance

  • Benzoylhypaconine

Synonyms

  • 14-O-Benzoylhypaconine
  • 3-Deoxymesaconine 14-benzoate
  • Benzoylhypaconine
  • Hypaconine 14-benzoate

Systematic Name

  • Aconitane-8,13,14,15-tetrol, 4-(methoxymethyl)-20-methyl-1,6,16-trimethoxy-, 14-benzoate, (1-alpha,6-alpha,14-alpha,15-alpha,16-beta)-

Registry Numbers

CAS Registry Number

  • 63238-66-4

Other Registry Number

  • 183452-15-5

System Generated Number

  • 0063238664

Structure Descriptors

InChI

1S/C31H43NO9/c1-32-14-28(15-37-2)12-11-18(38-3)30-17-13-29(35)25(41-27(34)16-9-7-6-8-10-16)19(17)31(36,24(33)26(29)40-5)20(23(30)32)21(39-4)22(28)30/h6-10,17-26,33,35-36H,11-15H2,1-5H3/t17-,18+,19-,20?,21+,22-,23?,24+,25-,26+,28+,29-,30?,31-/m1/s1

InChIKey

MDFCJNFOINXVSU-LUOWNJJZSA-N

Smiles

CN1C[C@@]2(CC[C@@H](C34[C@@H]2[C@H](C(C31)[C@@]5([C@@H]6[C@H]4C[C@@]([C@@H]6OC(=O)c7ccccc7)([C@H]([C@@H]5O)OC)O)O)OC)OC)COC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 120mg/kg (120mg/kg)   Journal of Ethnopharmacology. Vol. 4, Pg. 247, 1981.
mouse LD50 intravenous 23mg/kg (23mg/kg)   Japanese Journal of Toxicology. Vol. 2, Pg. 225, 1989.
mouse LD50 oral 830mg/kg (830mg/kg)   Journal of Ethnopharmacology. Vol. 4, Pg. 247, 1981.
mouse LD50 subcutaneous 130mg/kg (130mg/kg)   Journal of Ethnopharmacology. Vol. 4, Pg. 247, 1981.