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D6770 Supelco

Digoxin

analytical standard

Synonym: 12β-Hydroxydigitoxin

  • CAS Number 20830-75-5

  • Empirical Formula (Hill Notation) C41H64O14

  • Molecular Weight 780.94

  •  Beilstein/REAXYS Number 77011

  •  EC Number 244-068-1

  •  MDL number MFCD00003674

  •  PubChem Substance ID 24894045

  •  NACRES NA.77

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Properties

Related Categories 1694 Pharmaceuticals & Personal Care Products, Additional Standards, Analytical Standards, Analytical/Chromatography, Bioactive Small Molecule Alphabetical Index,
Quality Level   100
biological source   plant (Digitalis lanata)
grade   analytical standard
Agency/Method   EPA 1694
form   powder
packaging   vial of 250 mg
Featured Industry   Environmental
functional group   ketone
storage temp.   room temp
SMILES string   C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]3[C@@H](O)C[C@@H](O[C@@H]3C)O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5C[C@@H](O)[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C4
InChI   1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1
InChI key   LTMHDMANZUZIPE-PUGKRICDSA-N
Gene Information   human ... ABCB1(5243), ATP1A1(476), ATP1A2(477), ATP1A3(478), ATP1A4(480), ATP1B1(481), ATP1B2(482), ATP1B3(483), CYP3A4(1576), FXYD2(486)
mouse ... Abcb1a(18671), Abcb1b(18669)
rat ... Atp1a1(24211)

Description

Packaging

1 vial in glass bottle

Biochem/physiol Actions

A cardiac glycoside, substrate for Pgp, upregulates Pgp expression and down regulates SXR (Steroid Xenobiotic Receptor).

Features and Benefits

This compound is a featured product for ADME Tox research. Click here to discover more featured ADME Tox products. Learn more about bioactive small molecules for other areas of research at sigma.com/discover-bsm.

Packaging

Supplied in amber screw-cap vials

Safety & Documentation

Safety Information

Symbol 
GHS06  GHS06
Signal word 
Danger
Hazard statements 
Precautionary statements 
RIDADR 
UN 3462 6.1 / PGII
WGK Germany 
WGK 3
RTECS 
IH6125000
Protocols & Articles

Articles

Discover Bioactive Small Molecules for ADME/Tox

A significant number of drugs that fail in clinical trials have been associated with safety issues, including unexpected drug-drug interactions (DDI) or lack of efficacy due to poor pharmacokinetics....
Keywords: Absorption, Bioactive small molecules, Clinical, Metabolism

Peer-Reviewed Papers
15

References

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