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Substance Name: Solanine hydrochloride
RN: 40816-40-8
InChIKey: QUYXLQVIGMPDII-SPBVUKRRSA-N

Note

  • A mixture of alpha-chaconine and alpha-solanine, found in SOLANACEAE plants.

Classification Code

  • Reproductive Effect

Molecular Formula

  • C45-H73-N-O15.Cl-H

Molecular Weight

  • 904.5246
 
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Names and Synonyms

Results Name

  • Solanine hydrochloride

Synonyms

  • EINECS 255-091-1
  • Solanin hydrochloride
  • Solanine HCl
  • Solanine hydrochloride

Systematic Names

  • beta-D-Galactopyranoside, (3-beta)-solanid-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-3))-, hydrochloride
  • Solanine hydrochloride

Registry Numbers

CAS Registry Number

  • 40816-40-8

Other Registry Number

  • 6080-31-5

System Generated Number

  • 0040816408

Molecular Formulas

Molecular Formula

  • C45-H73-N-O15.Cl-H

Molecular Formula Fragments

  • C45-H73-N-O15
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C45H73NO15.ClH/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42;/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3;1H/t19-,20+,21-,23-,24+,25?,26-,27+,28?,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40+,41-,42-,43+,44-,45-;/m0./s1

InChIKey

QUYXLQVIGMPDII-SPBVUKRRSA-N

Smiles

Cl.C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3C(C[C@H]4[C@@H]5CC=C6C[C@H](CC[C@]6(C)C5CC[C@]34C)O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)N2C1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 42mg/kg (42mg/kg)   "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals", 11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989Vol. 11, Pg. 1371, 1989.