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Substance Name: Browniine
RN: 5140-42-1
InChIKey: MODXUQZMEBLSJD-UHFFFAOYSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C25-H41-N-O7

Molecular Weight

  • 467.599
 
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Names and Synonyms

Results Name

  • Browniine

Synonyms

  • Browniine
  • NSC 333055

Systematic Names

  • Aconitane-7,8,14-triol, 20-ethyl-4-(methoxymethyl)-1,6,16-trimethoxy-, (1-alpha,6-beta,14-alpha,16-beta)-
  • Browniine (7CI)

Registry Numbers

CAS Registry Number

  • 5140-42-1

System Generated Number

  • 0005140421

Structure Descriptors

InChI

1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3

InChIKey

MODXUQZMEBLSJD-UHFFFAOYSA-N

Smiles

O[C@@]12[C@@]3([C@@H]4[C@@H](O)[C@@H](C[C@@H]4[C@@]45[C@@H](CC[C@@]([C@@H]5[C@@H]2OC)(C[N@@]([C@@H]14)CC)COC)OC)[C@@H](OC)C3)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous > 720mg/kg (720mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 41, Pg. 96, 1993.