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Substance Name: Acetyldigitoxin [INN:NF]
RN: 1111-39-3
UNII: 0ZV4Q4L2FU
InChIKey: HPMZBILYSWLILX-UMDUKNJSSA-N

Note

  • Cardioactive derivatives of lanatoside A or of DIGITOXIN. They are used for fast digitalization in congestive heart failure.

Molecular Formula

  • C43-H66-O14

Molecular Weight

  • 806.9804
 

Classification Codes

  • Anti-Arrhythmia Agents
  • Cardiotonic Agents
  • Cardiovascular Agents
  • Drug / Therapeutic Agent
  • Enzyme Inhibitors
  • Natural Product
  • Protective Agents
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Names and Synonyms

Name of Substance

  • Acetyldigitoxin [INN:NF]
  • alpha-Acetyldigitoxins

MeSH Heading

  • Acetyldigitoxins

Synonyms

  • (3beta,5beta)-3-((O-3-O-Acetyl-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide
  • 5-18-03-00354 (Beilstein Handbook Reference)
  • Acedigal
  • Acetildigitoxina
  • Acetildigitoxina [INN-Spanish]
  • Acetyl-digitoxin-alpha
  • Acetyldigitoxin
  • Acetyldigitoxinum
  • Acetyldigitoxinum [INN-Latin]
  • Acigoxin
  • Acylanid
  • Acylanide
  • Adicin
  • alpha-Acetyldigitoxin
  • alpha-Monoacetyldigitoxin
  • BRN 0077291
  • Desglucolanatoside A
  • Digitoxin, 3'''-acetate
  • Digitoxin, alpha-acetyl-
  • EINECS 214-178-4
  • UNII-0ZV4Q4L2FU

Systematic Names

  • (3beta,5beta)-3-((O-3-O-Acetyl-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide
  • Card-20(22)-enolide, 3-((O-3-O-acetyl-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14-hydroxy-, (3beta,5beta)-
  • Digitoxin, acetate, alpha-

Registry Numbers

CAS Registry Number

  • 1111-39-3

FDA UNII

  • 0ZV4Q4L2FU

System Generated Number

  • 0001111393

Structure Descriptors

InChI

1S/C43H66O14/c1-21-38(48)33(54-24(4)44)19-37(51-21)57-40-23(3)53-36(18-32(40)46)56-39-22(2)52-35(17-31(39)45)55-27-9-12-41(5)26(16-27)7-8-30-29(41)10-13-42(6)28(11-14-43(30,42)49)25-15-34(47)50-20-25/h15,21-23,26-33,35-40,45-46,48-49H,7-14,16-20H2,1-6H3/t21-,22-,23-,26-,27+,28-,29+,30-,31+,32+,33+,35+,36+,37+,38-,39-,40-,41+,42-,43+/m1/s1

InChIKey

HPMZBILYSWLILX-UMDUKNJSSA-N

Smiles

C[C@H]1O[C@H](C[C@H](OC(=O)C)[C@@H]1O)O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5CC[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C4)O[C@@H]3C)O[C@@H]2C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 514ug/kg (0.514mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 111, Pg. 365, 1954.
cat LD50 oral 250ug/kg (0.25mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 159, Pg. 1, 1966.
frog LD50 subcutaneous 2800ug/kg (2.8mg/kg)   Farmakologiya i Toksikologiya Vol. 43, Pg. 170, 1980.
guinea pig LD50 oral > 30mg/kg (30mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 159, Pg. 1, 1966.
guinea pig LDLo intravenous 1700ug/kg (1.7mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 15, Pg. 481, 1965.
mouse LD50 intraperitoneal 2780ug/kg (2.78mg/kg) BEHAVIORAL: FOOD INTAKE (ANIMAL)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Farmakologiya i Toksikologiya Vol. 43, Pg. 170, 1980.
mouse LD50 oral 7300ug/kg (7.3mg/kg)   Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 54, Pg. 58, 1958.