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Details

Stereochemistry ABSOLUTE
Molecular Formula C43H66O15
Molecular Weight 822.9751
Optical Activity UNSPECIFIED
Defined Stereocenters 21 / 21
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-ACETYLDIGOXIN

SMILES

C[C@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](OC(C)=O)[C@@H](C)O3)[C@@H](C)O2)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

InChIKey=NREAGDHHMSOWKZ-DXJNJSHLSA-N
InChI=1S/C43H66O15/c1-20-38(55-23(4)44)30(45)17-36(53-20)57-40-22(3)54-37(18-32(40)47)58-39-21(2)52-35(16-31(39)46)56-26-9-11-41(5)25(14-26)7-8-28-29(41)15-33(48)42(6)27(10-12-43(28,42)50)24-13-34(49)51-19-24/h13,20-22,25-33,35-40,45-48,50H,7-12,14-19H2,1-6H3/t20-,21-,22-,25-,26+,27-,28-,29+,30+,31+,32+,33-,35+,36+,37+,38-,39-,40-,41+,42+,43+/m1/s1

HIDE SMILES / InChI

Molecular Formula C43H66O15
Molecular Weight 822.9751
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 21 / 21
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

Beta-acetyldigoxin (under the brand name Novodigal), a beta-acetyl derivative of digoxin, acts as a prodrug. It is deacetylated in the cells of the intestinal mucosa and is present inside the body solely in the form of digoxin. β-acetyldigoxin has a higher bioavailability than digoxin. Beta-acetyldigoxin is a substrate of P-glycoprotein.

Approval Year

PubMed

Sample Use Guides

In Vivo Use Guide
0.4 mg beta-acetyldigoxin (Novodigal) orally
Route of Administration: Oral
Substance Class Chemical
Record UNII
P7K44M64CW
Record Status Validated (UNII)
Record Version