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Substance Name: Ryanodol, 3-(3,4,5-tribromo-1H-pyrrole-2-carboxylate)
RN: 33068-29-0
InChIKey: BQSPTYKMBASMDW-UHFFFAOYSA-N

Molecular Formula

  • C25-H32-Br3-N-O9

Molecular Weight

  • 730.238
 
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Names and Synonyms

Synonyms

  • 24,25,26-Tribromopyranodine
  • BRN 6029396

Systematic Name

  • Ryanodol, 3-(3,4,5-tribromo-1H-pyrrole-2-carboxylate)

Registry Numbers

CAS Registry Number

  • 33068-29-0

System Generated Number

  • 0033068290

Structure Descriptors

InChI

1S/C25H32Br3NO9/c1-9(2)22(34)17(37-16(31)13-11(26)12(27)15(28)29-13)23(35)18(4)8-21(33)19(22,5)25(23,36)24(38-21)14(30)10(3)6-7-20(18,24)32/h9-10,14,17,29-30,32-36H,6-8H2,1-5H3

InChIKey

BQSPTYKMBASMDW-UHFFFAOYSA-N

Smiles

[nH]1c(C(O[C@@H]2[C@@](C(C)C)([C@@]3([C@@]4(O[C@@]56[C@@]([C@@](C)(C4)[C@@]2([C@@]36O)O)(CC[C@@H]([C@@H]5O)C)O)O)C)O)=O)c(Br)c(c1Br)Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 20mg/kg (20mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 710, 1987.