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Substance Name: 16-epi-Pyroaconitine
RN: 123834-18-4
InChIKey: RMTJALKWXOBAMX-JLYVIDCASA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C32-H43-N-O9

Molecular Weight

  • 585.6897
 
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Names and Synonyms

Name of Substance

  • 16-epi-Pyroaconitine

Synonyms

  • 16-epi-Pyroaconitine
  • 16-Epipyroaconitine
  • 4-21-00-06794 (Beilstein Handbook Reference)
  • BRN 0072480

Systematic Name

  • Aconitan-15-one, 14-(benzoyloxy)-3,13-dihydroxy-20-ethyl-4-(methoxymethyl)-1,6,16-trimethoxy-,(1-alpha,3-alpha,6-alpha,14-alpha,16-alpha)-

Registry Numbers

CAS Registry Number

  • 123834-18-4

System Generated Number

  • 0123834184

Structure Descriptors

InChI

1S/C32H43NO9/c1-6-33-14-30(15-38-2)18(34)12-19(39-3)32-17-13-31(37)27(42-29(36)16-10-8-7-9-11-16)20(17)21(23(35)28(31)41-5)22(26(32)33)24(40-4)25(30)32/h7-11,17-22,24-28,34,37H,6,12-15H2,1-5H3/t17-,18-,19+,20+,21+,22?,24+,25-,26?,27-,28-,30+,31-,32?/m1/s1

InChIKey

RMTJALKWXOBAMX-JLYVIDCASA-N

Smiles

CCN1C[C@@]2([C@@H](C[C@@H](C34[C@@H]2[C@H](C(C31)[C@@H]5[C@@H]6[C@H]4C[C@@]([C@@H]6OC(=O)c7ccccc7)([C@@H](C5=O)OC)O)OC)OC)O)COC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous > 30mg/kg (30mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: ATAXIA
Journal of Ethnopharmacology. Vol. 35, Pg. 159, 1991.