Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 3-Monoacetylgitoxigenin
RN: 1059-21-8
InChIKey: IBVUJOOHHPQIOV-KMESBTIVSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H36-O6

Molecular Weight

  • 432.553
 
* 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

Results Name

  • 3-Monoacetylgitoxigenin

Synonyms

  • 3-beta,14,16-beta-Trihydroxy-5-beta-card-20(22)-enolide 3-acetate
  • 3-Monoacetylgitoxigenin
  • 4-18-00-02458 (Beilstein Handbook Reference)
  • BRN 0061015

Systematic Name

  • 5-beta-Card-20(22)-enolide, 3-beta,14,16-beta-trihydroxy-, 3-acetate

Registry Numbers

CAS Registry Number

  • 1059-21-8

System Generated Number

  • 0001059218

Structure Descriptors

InChI

1S/C25H36O6/c1-14(26)31-17-6-8-23(2)16(11-17)4-5-19-18(23)7-9-24(3)22(15-10-21(28)30-13-15)20(27)12-25(19,24)29/h10,16-20,22,27,29H,4-9,11-13H2,1-3H3/t16-,17+,18?,19?,20+,22+,23+,24-,25+/m1/s1

InChIKey

IBVUJOOHHPQIOV-KMESBTIVSA-N

Smiles

C1[C@@]2([C@@]([C@@H]3[C@@H]([C@@]4([C@@H](C[C@@H](OC(C)=O)CC4)CC3)C)C1)(C[C@@H]([C@@H]2C=1COC(C1)=O)O)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
pigeon LD50 parenteral 6530ug/kg (6.53mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 8, Pg. 18, 1960.