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Substance Name: 8,9-Didehydro-10-deoxy-10-oxoryanodine
RN: 106821-52-7
InChIKey: FJBQJGVCHRSEIM-KQCUDHGKSA-N

Molecular Formula

  • C25-H31-N-O9

Molecular Weight

  • 489.5179
 
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Names and Synonyms

Name of Substance

  • 8,9-Didehydro-10-deoxy-10-oxoryanodine

Synonyms

  • 8,9-Didehydro-10-deoxy-10-oxoryanodol 3-(1H-pyrrole-2-carboxylate)
  • 8,9-Didehydro-10-ketoryanodine
  • BRN 6025788

Systematic Name

  • Ryanodol, 8,9-didehydro-10-deoxy-10-oxo-, 3-(1H-pyrrole-2-carboxylate)

Registry Numbers

CAS Registry Number

  • 106821-52-7

System Generated Number

  • 0106821527

Structure Descriptors

InChI

1S/C25H31NO9/c1-12(2)22(31)17(34-16(28)14-7-6-10-26-14)23(32)18(4)11-21(30)19(22,5)25(23,33)24(35-21)15(27)13(3)8-9-20(18,24)29/h6-8,10,12,17,26,29-33H,9,11H2,1-5H3/t17?,18-,19-,20-,21-,22+,23+,24+,25+/m0/s1

InChIKey

FJBQJGVCHRSEIM-KQCUDHGKSA-N

Smiles

CC(C)[C@@]1(O)C(OC(=O)c2ccc[nH]2)[C@@]3(O)[C@@]4(C)C[C@]5(O)O[C@@]6(C(=O)C(=CC[C@]46O)C)[C@@]3(O)[C@]15C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 5mg/kg (5mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 710, 1987.