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Substance Name: 9,21-Epoxyryanodine
RN: 106863-57-4
InChIKey: BLFWHBSHUQXUKD-YHCUSYILSA-N

Molecular Formula

  • C25-H33-N-O10

Molecular Weight

  • 507.5327
 
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Names and Synonyms

Results Name

  • 9,21-Epoxyryanodine

Synonyms

  • 9,21-Epoxyryanodine
  • BRN 6025274
  • Ryanodol, 9,21-epoxy-, 3-(1H-pyrrole-2-carboxylate)

Systematic Name

  • Spiro(1H-3b,8-(epoxyethano)cyclopent(a)inden-5(6H),2'-oxirane)-, 3a,4,7,7a,8,8a-hexahydro-1,2,3a,4,7a,8a-hexahydroxy-2-(1-methylethyl)-3,8-dimethyl-, 1-(1H-pyrrole-2-carboxylate), (1R-(1-alpha,3a-beta,3b-alpha,4-alpha,5-beta,7a-beta,8-alpha,8a-beta))-

Registry Numbers

CAS Registry Number

  • 106863-57-4

System Generated Number

  • 0106863574

Structure Descriptors

InChI

1S/C25H33NO10/c1-12(2)22(31)16(35-14(27)13-6-5-9-26-13)23(32)17(3)10-21(30)18(22,4)25(23,33)24(36-21)15(28)19(11-34-19)7-8-20(17,24)29/h5-6,9,12,15-16,26,28-33H,7-8,10-11H2,1-4H3/t15-,16-,17-,18+,19+,20+,21-,22-,23-,24?,25-/m1/s1

InChIKey

BLFWHBSHUQXUKD-YHCUSYILSA-N

Smiles

CC(C)[C@@]1(O)[C@@H](OC(=O)c2ccc[nH]2)[C@@]3(O)[C@]4(C)C[C@@]5(O)OC6([C@H](O)[C@]7(CC[C@]46O)CO7)[C@@]3(O)[C@]15C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1500ug/kg (1.5mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 710, 1987.