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Substance Name: Ryanodol, O(sup 4),O(sup 10),O(sup 15)-trimethyl-, 3-(1-methyl-1H-pyrrole-2-carboxylate)
RN: 106821-53-8
InChIKey: BXLDWDWPUYJUFH-UHFFFAOYSA-N

Molecular Formula

  • C29-H43-N-O9

Molecular Weight

  • 549.657
 
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Names and Synonyms

Synonyms

  • BRN 6027974
  • N,4-O,10-O,15-O-Tetramethylryanodine
  • O(sup 4),O(sup 10),O(sup 15)-Trimethylryanodol 3-(1-methyl-1H-pyrrole-2-carboxylate)

Systematic Name

  • Ryanodol, O(sup 4),O(sup 10),O(sup 15)-trimethyl-, 3-(1-methyl-1H-pyrrole-2-carboxylate)

Registry Numbers

CAS Registry Number

  • 106821-53-8

System Generated Number

  • 0106821538

Structure Descriptors

InChI

InChI=1S/C29H43NO9/c1-16(2)26(33)21(38-20(31)18-11-10-14-30(18)6)28(37-9)22(4)15-25(36-8)23(26,5)29(28,34)27(39-25)19(35-7)17(3)12-13-24(22,27)32/h10-11,14,16-17,19,21,32-34H,12-13,15H2,1-9H3

InChIKey

BXLDWDWPUYJUFH-UHFFFAOYSA-N

Smiles

COC1C(C)CCC2(O)C3(C)CC4(OC)OC12C5(O)C4(C)C(O)(C(C)C)C(OC(=O)c6cccn6C)C35OC

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.