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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

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

n1(c(ccc1)C(=O)O[C@@H]1[C@@]2(OC)[C@@]3(C)C[C@@]4([C@@]([C@@]1(C(C)C)O)([C@@]2([C@@]1(O4)[C@@]3(O)CC[C@@H]([C@@H]1OC)C)O)C)OC)C

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.