MedKoo Cat#: 598290 | Name: Metildigoxin

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Metildigoxin is a semisynthetic digitalis glycoside with the general properties of DIGOXIN but more rapid onset of action. Its cardiotonic action is prolonged by its demethylation to DIGOXIN in the liver. It has been used in the treatment of congestive heart failure.

Chemical Structure

Metildigoxin
Metildigoxin
CAS#30685-43-9

Theoretical Analysis

MedKoo Cat#: 598290

Name: Metildigoxin

CAS#: 30685-43-9

Chemical Formula: C42H66O14

Exact Mass: 794.4453

Molecular Weight: 794.98

Elemental Analysis: C, 63.46; H, 8.37; O, 28.18

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Synonym
Metildigoxin; beta-Methyldigoxin; Lanitop; Betamethyl digoxin; Medigossina; Metildigoxinum;
IUPAC/Chemical Name
4-((3S,5R,8R,9S,10S,12R,13S,14R,17R)-12,14-dihydroxy-3-(((2R,4S,5S,6R)-4-hydroxy-5-(((2S,4S,5S,6R)-4-hydroxy-5-(((2S,4S,5S,6R)-4-hydroxy-5-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-6-methyltetrahydro-2H-pyran-2-yl)oxy)-6-methyltetrahydro-2H-pyran-2-yl)oxy)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one
InChi Key
IYJMSDVSVHDVGT-GSWNCCROSA-N
InChi Code
InChI=1S/C42H66O14/c1-20-37(49-6)29(43)16-35(51-20)55-39-22(3)53-36(18-31(39)45)56-38-21(2)52-34(17-30(38)44)54-25-9-11-40(4)24(14-25)7-8-27-28(40)15-32(46)41(5)26(10-12-42(27,41)48)23-13-33(47)50-19-23/h13,20-22,24-32,34-39,43-46,48H,7-12,14-19H2,1-6H3/t20-,21-,22-,24-,25+,26-,27-,28+,29+,30+,31+,32-,34+,35+,36+,37-,38-,39-,40+,41+,42-/m1/s1
SMILES Code
O=C(OC1)C=C1[C@@H]2[C@]([C@H](O)C[C@H]3[C@H]4CC[C@H]5[C@]3(C)CC[C@H](O[C@H]6C[C@H](O)[C@@H]([C@@H](C)O6)O[C@H]7C[C@H](O)[C@@H]([C@@H](C)O7)O[C@H]8C[C@H](O)[C@@H]([C@@H](C)O8)OC)C5)(C)[C@@]4(O)CC2
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.03.00
More Info
Product Data
Biological target:
Metildigoxin is a semisynthetic digitalis glycoside with the general properties of DIGOXIN but more rapid onset of action.
In vitro activity:
TBD
In vivo activity:
TBD

Preparing Stock Solutions

The following data is based on the product molecular weight 794.98 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
TBD
In vitro protocol:
TBD
In vivo protocol:
TBD
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