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Substance Name: Jaconine hydrochloride
RN: 7251-11-8
InChIKey: AOFLJXYFSXFMOL-MRXAPZQLSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C18-H26-Cl-N-O6.Cl-H

Molecular Weight

  • 424.3183
 
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Names and Synonyms

Results Name

  • Jaconine hydrochloride

Synonyms

  • (15-alpha,20R)-20-Chloro-15,20-dihydro-12,15-dihydroxysenecionan-11,16-dione hydrochloride
  • Jaconine HCl
  • Jaconine hydrochloride
  • NSC 30624

Systematic Name

  • Senecionan-11,16-dione, 20-chloro-15,20-dihydro-12,15-dihydroxy-, hydrochloride, (15-alpha,20R)-

Registry Numbers

CAS Registry Number

  • 7251-11-8

System Generated Number

  • 0007251118

Molecular Formulas

Molecular Formula

  • C18-H26-Cl-N-O6.Cl-H

Molecular Formula Fragments

  • C18-H26-Cl-N-O6
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H26ClNO6.ClH/c1-10-8-18(24,11(2)19)16(22)26-13-5-7-20-6-4-12(14(13)20)9-25-15(21)17(10,3)23;/h4,10-11,13-14,23-24H,5-9H2,1-3H3;1H/t10-,11?,13-,14-,17-,18+;/m1./s1

InChIKey

AOFLJXYFSXFMOL-MRXAPZQLSA-N

Smiles

C[C@@H]1C[C@@](C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]1(C)O)(C(C)Cl)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 168mg/kg (168mg/kg) VASCULAR: OTHER CHANGES

BLOOD: HEMORRHAGE

LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA
Frontiers of Biology. Vol. 9, Pg. 142, 1968.