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Substance Name: Ouabain acetonide
RN: 27799-55-9
InChIKey: DVBXVYPNGNXGSG-SRUVFUBXSA-N

Molecular Formula

  • C32-H48-O12

Molecular Weight

  • 624.719
 
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Names and Synonyms

Results Name

  • Ouabain acetonide

Synonyms

  • BRN 1416265
  • Mono-O-isopropylidene ouabain
  • O-Isopropylidene ouabain
  • Ouabain acetonide

Systematic Name

  • 5-beta-Card-20(22)-enolide, 3-beta-((6-deoxy-3,4-O-isopropylidene-alpha-L-mannopyranosyl)oxy)-1-beta,5,11-alpha,14,19-pentahydroxy-

Registry Numbers

CAS Registry Number

  • 27799-55-9

System Generated Number

  • 0027799559

Structure Descriptors

InChI

1S/C32H48O12/c1-15-25-26(44-28(2,3)43-25)24(37)27(41-15)42-17-10-21(35)31(14-33)23-19(5-7-30(31,38)11-17)32(39)8-6-18(16-9-22(36)40-13-16)29(32,4)12-20(23)34/h9,15,17-21,23-27,33-35,37-39H,5-8,10-14H2,1-4H3/t15?,17-,18+,19?,20+,21+,23?,24?,25+,26?,27+,29+,30-,31+,32-/m0/s1

InChIKey

DVBXVYPNGNXGSG-SRUVFUBXSA-N

Smiles

C([C@@]12[C@@H]3[C@@H]([C@@]4([C@]([C@@H](C5=CC(=O)OC5)CC4)(C)C[C@H]3O)O)CC[C@@]1(C[C@@H](O[C@@H]1[C@H]([C@@H]3[C@H](OC(O3)(C)C)[C@@H](O1)C)O)C[C@H]2O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 884ug/kg (0.884mg/kg)   Journal of Pharmaceutical Sciences. Vol. 55, Pg. 1350, 1966.