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Substance Name: Isohypognavine
RN: 3368-91-0
InChIKey: AHJYUWVTHMSHBB-PQBCOHSUSA-N

Molecular Formula

  • C23-H31-N-O4

Molecular Weight

  • 433.5449
 
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Names and Synonyms

Name of Substance

  • Isohypognavine

Synonyms

  • Isohypognavine
  • Isohypognavinol 2-benzoate

Systematic Name

  • Hetisan-2,11,15-triol, 2-benzoate, (2-alpha,11-beta,15-beta)-

Registry Numbers

CAS Registry Number

  • 3368-91-0

System Generated Number

  • 0003368910

Structure Descriptors

InChI

1S/C27H31NO4/c1-13-16-8-17-22-27-10-15(32-24(31)14-6-4-3-5-7-14)9-25(2)12-28(22)18(20(25)27)11-26(17,23(13)30)21(27)19(16)29/h3-7,15-23,29-30H,1,8-12H2,2H3/t15-,16+,17+,18-,19-,20+,21+,22?,23+,25-,26?,27-/m0/s1

InChIKey

AHJYUWVTHMSHBB-PQBCOHSUSA-N

Smiles

C[C@@]12C[C@@H](C[C@]34[C@@H]1[C@@H]5CC67[C@H]3[C@H]([C@H](C[C@@H]6C4N5C2)C(=C)[C@H]7O)O)OC(=O)c8ccccc8

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 16400ug/kg (16.4mg/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 91300ug/kg (91.3mg/kg) SKIN AND APPENDAGES (SKIN): HAIR: OTHER

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