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Substance Name: Ionomycin, calcium salt
RN: 56092-82-1
InChIKey: WKRWUYKLUMMAKG-WYGBAUISSA-L

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C41-H70-O9.Ca

Molecular Weight

  • 747.073
 
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Names and Synonyms

  • Ionomycin, calcium salt

Registry Numbers

CAS Registry Number

  • 56092-82-1

System Generated Number

  • 0056092821

Molecular Formulas

Molecular Formula

  • C41-H70-O9.Ca

Molecular Formula Fragments

  • C41-H70-O9
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/C41H72O9.Ca/c1-25(21-29(5)34(43)24-35(44)30(6)22-27(3)20-26(2)14-15-38(46)47)12-11-13-28(4)39(48)31(7)36(45)23-33-16-18-41(10,49-33)37-17-19-40(9,50-37)32(8)42;/h11,13,24-33,36-37,39,42-43,45,48H,12,14-23H2,1-10H3,(H,46,47);/q;+2/p-2/b13-11+,34-24-;/t25-,26-,27+,28-,29-,30+,31+,32-,33+,36+,37-,39-,40+,41+;/m1./s1

InChIKey

WKRWUYKLUMMAKG-WYGBAUISSA-L

Smiles

C[C@H](CCC(=O)[O-])C[C@H](C)C[C@H](C)C(=O)/C=C(/[C@H](C)C[C@H](C)C/C=C/[C@@H](C)[C@H]([C@@H](C)[C@H](C[C@@H]1CC[C@@](O1)(C)[C@H]2CC[C@@](O2)(C)[C@@H](C)O)O)O)\[O-].[Ca+2]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 12mg/kg (12mg/kg)   "Kirk-Othmer Encyclopedia of Chemical Technology," 3rd ed., Grayson, M., and D. Eckroth, eds. New York, John Wiley & Sons, Inc., 1978Vol. 3, Pg. 47, 1978.
mouse LD50 oral 650mg/kg (650mg/kg)   "Kirk-Othmer Encyclopedia of Chemical Technology," 3rd ed., Grayson, M., and D. Eckroth, eds. New York, John Wiley & Sons, Inc., 1978Vol. 3, Pg. 47, 1978.