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Substance Name: Pyrojesaconitine
RN: 16298-91-2
InChIKey: QMGHUXIUNPVSHV-BIRPHIQFSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C33-H45-N-O10

Molecular Weight

  • 615.7155
 
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Names and Synonyms

Results Name

  • Pyrojesaconitine

Systematic Names

  • Aconitan-15-one, 3,13-dihydroxy-20-ethyl-14-((4-methoxybenzoyl)oxy)-4-(methoxymethyl)-1,6,16-trimethoxy-, (1-alpha,3-alpha,6-alpha,14-alpha,16-beta)-
  • Pyrojesaconitine (8CI)

Registry Numbers

CAS Registry Number

  • 16298-91-2

System Generated Number

  • 0016298912

Structure Descriptors

InChI

1S/C33H45NO10/c1-7-34-14-31(15-39-2)19(35)12-20(41-4)33-18-13-32(38)28(44-30(37)16-8-10-17(40-3)11-9-16)21(18)22(24(36)29(32)43-6)23(27(33)34)25(42-5)26(31)33/h8-11,18-23,25-29,35,38H,7,12-15H2,1-6H3/t18-,19-,20+,21+,22+,23?,25+,26-,27?,28-,29+,31+,32-,33?/m1/s1

InChIKey

QMGHUXIUNPVSHV-BIRPHIQFSA-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)c7ccc(cc7)OC)([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.