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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

[H][C@@]1(C[C@H](O)[C@H](O[C@@]2([H])C[C@H](O)[C@H](O[C@@]3([H])C[C@H](O)[C@H](OC(C)=O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1)O[C@H]4CC[C@@]5(C)[C@]([H])(CC[C@]6([H])[C@]5([H])C[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
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 21 / 21
E/Z Centers 0
Optical Activity UNSPECIFIED

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

PubMed

TitleDatePubMed
P-glycoprotein-mediated transport of digitoxin, alpha-methyldigoxin and beta-acetyldigoxin.
2001 Mar

Sample Use Guides

0.4 mg beta-acetyldigoxin (Novodigal) orally
Route of Administration: Oral
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:14:35 GMT 2023
Edited
by admin
on Fri Dec 15 19:14:35 GMT 2023
Record UNII
P7K44M64CW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-ACETYLDIGOXIN
EP   MI  
Common Name English
BETA-ACETYLDIGOXIN
WHO-DD  
Common Name English
KARDIAMED
Brand Name English
Beta-acetyldigoxin [WHO-DD]
Common Name English
.BETA.-ACETYLDIGOXIN [MI]
Common Name English
.BETA.-ACETYLDIGOXIN [EP IMPURITY]
Code English
CARD-20(22)-ENOLIDE, 3-((O-4-O-ACETYL-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL-(1->4)-O-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL-(1->4)-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL)OXY )-12,14-DIHYDROXY-, (3.BETA.,5.BETA.,12.BETA.)-
Common Name English
ACETYLDIGOXIN-BETA
Common Name English
4'''-ACETYLDIGOXIN
Common Name English
3.BETA.-((4-O-ACETYL-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL-(1->4)-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL-(1->4)-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL)OXY)-12.BETA.,14-DIHYDROXY-5.BETA.-CARD-20(22)-ENOLIDE
Systematic Name English
LONGDIGOX
Brand Name English
STILLACOR
Brand Name English
DIGOXIN IMPURITY J [EP IMPURITY]
Common Name English
NOVODIGAL
Brand Name English
Classification Tree Code System Code
WHO-ATC C01AA02
Created by admin on Fri Dec 15 19:14:35 GMT 2023 , Edited by admin on Fri Dec 15 19:14:35 GMT 2023
Code System Code Type Description
ECHA (EC/EINECS)
226-337-5
Created by admin on Fri Dec 15 19:14:35 GMT 2023 , Edited by admin on Fri Dec 15 19:14:35 GMT 2023
PRIMARY
CAS
5355-48-6
Created by admin on Fri Dec 15 19:14:35 GMT 2023 , Edited by admin on Fri Dec 15 19:14:35 GMT 2023
PRIMARY
EPA CompTox
DTXSID30201760
Created by admin on Fri Dec 15 19:14:35 GMT 2023 , Edited by admin on Fri Dec 15 19:14:35 GMT 2023
PRIMARY
EVMPD
SUB13052MIG
Created by admin on Fri Dec 15 19:14:35 GMT 2023 , Edited by admin on Fri Dec 15 19:14:35 GMT 2023
PRIMARY
PUBCHEM
10350481
Created by admin on Fri Dec 15 19:14:35 GMT 2023 , Edited by admin on Fri Dec 15 19:14:35 GMT 2023
PRIMARY
ChEMBL
CHEMBL2074725
Created by admin on Fri Dec 15 19:14:35 GMT 2023 , Edited by admin on Fri Dec 15 19:14:35 GMT 2023
PRIMARY
MERCK INDEX
m4456
Created by admin on Fri Dec 15 19:14:35 GMT 2023 , Edited by admin on Fri Dec 15 19:14:35 GMT 2023
PRIMARY Merck Index
FDA UNII
P7K44M64CW
Created by admin on Fri Dec 15 19:14:35 GMT 2023 , Edited by admin on Fri Dec 15 19:14:35 GMT 2023
PRIMARY
SMS_ID
100000077189
Created by admin on Fri Dec 15 19:14:35 GMT 2023 , Edited by admin on Fri Dec 15 19:14:35 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY