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Substance Name: Ignavine
RN: 1357-76-2
InChIKey: FOIZZXKAYVIZQC-XGOHUXEVSA-N

Note

  • Low toxicity alkaloid from Aconitum.

Molecular Formula

  • C27-H31-N-O5

Molecular Weight

  • 449.5439
 
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Names and Synonyms

Name of Substance

  • Ignavine

Synonyms

  • BRN 5655872
  • Ignavine

Systematic Name

  • Hetisan-2,13,9,15-tetrol, 2-benzoate, (2-alpha,3-beta,15-beta)-

Registry Numbers

CAS Registry Number

  • 1357-76-2

Other Registry Number

  • 58840-06-5

System Generated Number

  • 0001357762

Structure Descriptors

InChI

1S/C27H31NO5/c1-13-15-8-16-20-26-11-18(33-23(31)14-6-4-3-5-7-14)22(30)24(2)12-28(20)17(19(24)26)10-25(16,21(13)29)27(26,32)9-15/h3-7,15-22,29-30,32H,1,8-12H2,2H3/t15-,16+,17-,18+,19+,20?,21+,22-,24-,25?,26?,27-/m0/s1

InChIKey

FOIZZXKAYVIZQC-XGOHUXEVSA-N

Smiles

C[C@]12CN3[C@@H]4[C@H]1C5(C3[C@H]6C[C@H]7C[C@@]5(C6(C4)[C@@H](C7=C)O)O)C[C@H]([C@@H]2O)OC(=O)c8ccccc8

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 22800ug/kg (22.8mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Chemical and Pharmaceutical Bulletin. Vol. 30, Pg. 1844, 1982.
mouse LD50 oral > 500mg/kg (500mg/kg) SKIN AND APPENDAGES (SKIN): HAIR: OTHER

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Chemical and Pharmaceutical Bulletin. Vol. 30, Pg. 1844, 1982.