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Substance Name: Potassium cymarylate
RN: 63905-07-7
InChIKey: CFEZHYPOQVFRHO-XORKTGLJSA-M

Molecular Weight

  • 602.7577
 
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Names and Synonyms

  • Potassium cymarylate

Registry Numbers

CAS Registry Number

  • 63905-07-7

System Generated Number

  • 0063905077

Structure Descriptors

InChI

1S/C30H44O10.K/c1-16-25(32)22(37-3)13-24(39-16)40-18-4-10-29(26(33)34)20-5-8-27(2)19(17-12-23(31)38-15-17)7-11-30(27,36)21(20)6-9-28(29,35)14-18;/h12,16,18-22,24-25,32,35-36H,4-11,13-15H2,1-3H3,(H,33,34);/q;+1/p-1/t16-,18+,19-,20+,21-,22+,24+,25-,27-,28+,29-,30+;/m1./s1

InChIKey

CFEZHYPOQVFRHO-XORKTGLJSA-M

Smiles

C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C(=O)[O-])OC)O.[K+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 3879ug/kg (3.879mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 90, Pg. 271, 1947.