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Substance Name: 5-beta-Card-20(22)-enolide, 3-beta-O-(4-amino-4,6-dideoxy-beta-D-galactopyranosyl-3-beta,14-dihydroxy-, dihydrate
RN: 63938-94-3
InChIKey: GGAGHJPEAFYWMB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H43-N-O7.2H2-O

Molecular Weight

  • 555.704
 
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Names and Synonyms

Synonyms

  • 3-beta-O-(4-Amino-4,6-dideoxy-beta-D-galactopyranosyl)digitoxigenin dihydrate
  • ASI-222 dihydrate

Systematic Name

  • 5-beta-Card-20(22)-enolide, 3-beta-O-(4-amino-4,6-dideoxy-beta-D-galactopyranosyl-3-beta,14-dihydroxy-, dihydrate

Registry Numbers

CAS Registry Number

  • 63938-94-3

Related Registry Number

  • 59006-00-7 (Parent)

System Generated Number

  • 0063938943

Molecular Formulas

Molecular Formula

  • C29-H43-N-O7.2H2-O

Molecular Formula Fragments

  • C29-H43-N-O7
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C29H45NO7.2H2O/c1-15-23(30)24(32)25(33)26(36-15)37-18-6-9-27(2)17(13-18)4-5-21-20(27)7-10-28(3)19(8-11-29(21,28)34)16-12-22(31)35-14-16;;/h12,15,17-21,23-26,32-34H,4-11,13-14,30H2,1-3H3;2*1H2

InChIKey

GGAGHJPEAFYWMB-UHFFFAOYSA-N

Smiles

O.O1[C@@H]([C@@H]([C@@H]([C@@H](O)[C@@H]1O[C@@H]1C[C@@H]2CC[C@@H]3[C@@]4([C@@]([C@@H](C5=CC(=O)OC5)CC4)(CC[C@@H]3[C@@]2(CC1)C)C)O)O)N)C.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2213ug/kg (2.213mg/kg) CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION) Journal of Pharmacology and Experimental Therapeutics. Vol. 197, Pg. 19, 1976.