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Substance Name: Ryanodol, 3-(1-(phenylmethyl)-1H-pyrrole-2-carboxylate)
RN: 106821-47-0
InChIKey: PNCIZCMFUPZHTM-UHFFFAOYSA-N

Molecular Formula

  • C32-H41-N-O9

Molecular Weight

  • 583.674
 
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Names and Synonyms

Synonyms

  • BRN 6029954
  • N-Benzylryanodine

Systematic Name

  • Ryanodol, 3-(1-(phenylmethyl)-1H-pyrrole-2-carboxylate)

Registry Numbers

CAS Registry Number

  • 106821-47-0

System Generated Number

  • 0106821470

Structure Descriptors

InChI

1S/C32H41NO9/c1-18(2)29(38)24(41-23(35)21-12-9-15-33(21)16-20-10-7-6-8-11-20)30(39)25(4)17-28(37)26(29,5)32(30,40)31(42-28)22(34)19(3)13-14-27(25,31)36/h6-12,15,18-19,22,24,34,36-40H,13-14,16-17H2,1-5H3

InChIKey

PNCIZCMFUPZHTM-UHFFFAOYSA-N

Smiles

n1(Cc2ccccc2)c(ccc1)C(=O)O[C@@H]1[C@@]2([C@@]3([C@@]4([C@@]5([C@@]2([C@@]([C@@]1(C(C)C)O)([C@@](O5)(C3)O)C)O)[C@@H]([C@@H](C)CC4)O)O)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 6300ug/kg (6.3mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 710, 1987.