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Substance Name: alpha-Chaconine
RN: 20562-03-2
UNII: 5QOL0LIM81
InChIKey: TYNQWWGVEGFKRU-AJDPQWBVSA-N

Note

  • Glycoside of solanidine.

Classification Codes

  • Mutation Data
  • Reproductive Effect

Molecular Formula

  • C45-H73-N-O14

Molecular Weight

  • 852.0647
 
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Names and Synonyms

Name of Substance

  • alpha-Chaconine

Synonyms

  • 4-21-00-01401 (Beilstein Handbook Reference)
  • BRN 0077396
  • CCRIS 6509
  • Chaconine
  • UNII-5QOL0LIM81

Systematic Names

  • alpha-Chaconine
  • beta-D-Glucopyranoside, (3beta)-solanid-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(6-deoxy-alpha-L-mannopyranosyl-(1-4))-

Registry Numbers

CAS Registry Number

  • 20562-03-2

FDA UNII

  • 5QOL0LIM81

System Generated Number

  • 0020562032

Structure Descriptors

InChI

1S/C45H73NO14/c1-19-7-10-28-20(2)31-29(46(28)17-19)16-27-25-9-8-23-15-24(11-13-44(23,5)26(25)12-14-45(27,31)6)57-43-40(60-42-37(53)35(51)33(49)22(4)56-42)38(54)39(30(18-47)58-43)59-41-36(52)34(50)32(48)21(3)55-41/h8,19-22,24-43,47-54H,7,9-18H2,1-6H3/t19-,20+,21-,22-,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

TYNQWWGVEGFKRU-AJDPQWBVSA-N

Smiles

C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@H](CC[C@]6(C)[C@H]5CC[C@]34C)O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[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 19mg/kg (19mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Toxicology Letters. Vol. 3, Pg. 349, 1979.
rabbit LDLo intraperitoneal 50mg/kg (50mg/kg)   Research Communications in Chemical Pathology and Pharmacology. Vol. 12, Pg. 657, 1975.
rat LD50 intraperitoneal 84mg/kg (84mg/kg) BLOOD: HEMORRHAGE Toxicology and Applied Pharmacology. Vol. 36, Pg. 227, 1976.