D6770

Digoxin

analytical standard

• Synonym(s): 12β-Hydroxydigitoxin
• Empirical Formula (Hill Notation): C₄₁H₆₄O₁₄
• CAS Number: 20830-75-5
• Molecular Weight: 780.94
• Beilstein: 77011
• EC Number: 244-068-1
• MDL number: MFCD00003674
• UNSPSC Code: 41116107
• PubChem Substance ID: 24894045
• NACRES: NA.77

Properties

• biological source: plant (Digitalis lanata)
• grade: analytical standard
• Agency: EPA 1694
• form: powder
• packaging: vial of 250 mg
• application(s): clinical testing
• format: neat
• 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

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 Information

• Pictograms: GHS06,GHS08
• Signal Word: Danger
• Hazard Statements: H300,H331,H373
• Precautionary Statements: P260 - P264 - P271 - P301 + P310 - P304 + P340 + P311 - P314
• Hazard Classifications: Acute Tox. 2 Oral - Acute Tox. 3 Inhalation - STOT RE 2
• Storage Class Code: 6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
• WGK: WGK 3
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves