Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Acetylgitoxin
RN: 7242-40-2
InChIKey: PTTCKAPHKAXOPN-RVDMIWBYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C43-H66-O15

Molecular Weight

  • 822.9794
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Acetylgitoxin

Synonyms

  • 4-18-00-02463 (Beilstein Handbook Reference)
  • Acetylgitoxin-alpha
  • BRN 0077478
  • Desglucolanatoside B
  • Digithapsin A

Systematic Name

  • Gitoxin, 3'''-acetate

Registry Numbers

CAS Registry Number

  • 7242-40-2

System Generated Number

  • 0007242402

Structure Descriptors

InChI

1S/C43H66O15/c1-20-38(49)32(55-23(4)44)17-36(52-20)58-40-22(3)54-35(16-30(40)46)57-39-21(2)53-34(15-29(39)45)56-26-9-11-41(5)25(14-26)7-8-28-27(41)10-12-42(6)37(24-13-33(48)51-19-24)31(47)18-43(28,42)50/h13,20-22,25-32,34-40,45-47,49-50H,7-12,14-19H2,1-6H3/t20-,21-,22-,25-,26+,27+,28+,29+,30+,31+,32+,34+,35+,36+,37+,38-,39-,40-,41+,42-,43+/m1/s1

InChIKey

PTTCKAPHKAXOPN-RVDMIWBYSA-N

Smiles

C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@H]6[C@@H]5CC[C@]7([C@@]6(C[C@@H]([C@@H]7C8=CC(=O)OC8)O)O)C)C)C)C)OC(=O)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 oral > 5mg/kg (5mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 159, Pg. 1, 1966.
guinea pig LD50 oral > 20mg/kg (20mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 159, Pg. 1, 1966.