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Substance Name: Galegine
RN: 543-83-9
UNII: R469KQG1EF
InChIKey: UVMLHMAIUVSYOL-UHFFFAOYSA-N

Note

  • From Verbesina encelioides and Gelega oficinalis plants; toxic to livestock.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C6-H13-N3

Molecular Weight

  • 127.19
 
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Names and Synonyms

Name of Substance

  • Galegine

Synonyms

  • (3-Methylbut-2-enyl)guanidine
  • 3-04-00-00465 (Beilstein Handbook Reference)
  • BRN 1754651
  • Galegin
  • Galegine
  • Isopentenyl guanidine
  • N-3,3-Dimethylallylguanidine
  • UNII-R469KQG1EF

Systematic Name

  • Guanidine, (3-methyl-2-butenyl)-

Registry Numbers

CAS Registry Number

  • 543-83-9

FDA UNII

  • R469KQG1EF

System Generated Number

  • 0000543839

Structure Descriptors

InChI

1S/C6H13N3/c1-5(2)3-4-9-6(7)8/h3H,4H2,1-2H3,(H4,7,8,9)

InChIKey

UVMLHMAIUVSYOL-UHFFFAOYSA-N

Smiles

C(=C\CNC(N)=N)(\C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 4360mg/kg (4360mg/kg)   Acta Pharmaceutica Jugoslavica. Vol. 32, Pg. 219, 1982.
rat LDLo intravenous 25600ug/kg (25.6mg/kg)   United States Patent Document. Vol. #5059624,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 62.5 deg C   EXP
log P (octanol-water) 0.640 (none)   EST
Atmospheric OH Rate Constant 1.80E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.