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Substance Name: Anhydroryanodine
RN: 6883-31-4
InChIKey: PFPMKZBSCJNBMC-KGSHZRFRSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C25-H33-N-O8

Molecular Weight

  • 475.5347
 
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Names and Synonyms

Results Name

  • Anhydroryanodine

Synonyms

  • 4-22-00-00227 (Beilstein Handbook Reference)
  • Anhydroryanodine
  • BRN 0068693

Systematic Names

  • 1H-Pyrrole-2-carboxylic acid, 3a,4,5,6,7,7a,8,8a-octahydro-3a,4,7a,8a-tetrahydroxy-3,5,8-trimethyl-2-(1-methylethyl)-10-oxo-1H-3b,8-(epoxy ethano)cyclopent(a)inden-1-yl ester, (1R-(1-alpha,3a-beta,3b-alpha,4-alpha,5-beta,7a-beta,8-alpha,8a-beta))-
  • 1H-Pyrrole-2-carboxylic acid, 3a,4,5,6,7,7a,8,8a-octahydro-3a,4,7a,8a-tetrahydroxy-3,5,8-trimethyl-2-(1-methylethyl)-10-oxo-1H-3b,8-(epoxyethano)cyclopent(a)inden-1-yl ester, (1R-(1alpha,3abeta,3balpha,4alpha,5beta,7abeta,8alpha,8abeta))-
  • Ryanodine, anhydro- (7CI,8CI)

Registry Numbers

CAS Registry Number

  • 6883-31-4

System Generated Number

  • 0006883314

Structure Descriptors

InChI

InChI=1S/C25H33NO8/c1-12(2)17-14(4)23(31)24(32,19(17)33-20(29)15-7-6-10-26-15)21(5)11-16(27)34-25(23)18(28)13(3)8-9-22(21,25)30/h6-7,10,12-13,18-19,26,28,30-32H,8-9,11H2,1-5H3/t13-,18+,19+,21-,22-,23+,24+,25+/m0/s1

InChIKey

PFPMKZBSCJNBMC-KGSHZRFRSA-N

Smiles

C[C@H]1CC[C@@]2([C@@]3(CC(=O)O[C@@]2([C@@H]1O)[C@@]4([C@]3([C@@H](C(=C4C)C(C)C)OC(=O)c5ccc[nH]5)O)O)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 20mg/kg (20mg/kg)   Biochemical and Biophysical Research Communications. Vol. 128, Pg. 449, 1985.