U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C43H66O14
Molecular Weight 806.9757
Optical Activity UNSPECIFIED
Defined Stereocenters 20 / 20
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACETYLDIGITOXIN

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](OC(C)=O)[C@H](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])CC[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C4

InChI

InChIKey=HPMZBILYSWLILX-UMDUKNJSSA-N
InChI=1S/C43H66O14/c1-21-38(48)33(54-24(4)44)19-37(51-21)57-40-23(3)53-36(18-32(40)46)56-39-22(2)52-35(17-31(39)45)55-27-9-12-41(5)26(16-27)7-8-30-29(41)10-13-42(6)28(11-14-43(30,42)49)25-15-34(47)50-20-25/h15,21-23,26-33,35-40,45-46,48-49H,7-14,16-20H2,1-6H3/t21-,22-,23-,26-,27+,28-,29+,30-,31+,32+,33+,35+,36+,37+,38-,39-,40-,41+,42-,43+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ACETYLDIGITOXIN
INN   MART.   ORANGE BOOK   WHO-DD  
INN  
Official Name English
ACETYLDIGITOXIN [MART.]
Common Name English
(3.BETA.,5.BETA.)-3-((O-3-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)-14-HYDROXYCARD-20(22)-ENOLIDE
Common Name English
Acetyldigitoxin [WHO-DD]
Common Name English
ACETYLDIGITOXINS .ALPHA.-FORM
MI  
Common Name English
ACETYLDIGITOXINS .ALPHA.-FORM [MI]
Common Name English
acetyldigitoxin [INN]
Common Name English
ACYLANID
Brand Name English
ACETYLDIGITOXIN [ORANGE BOOK]
Common Name English
Classification Tree Code System Code
WHO-VATC QC01AA01
Created by admin on Fri Dec 15 15:39:34 UTC 2023 , Edited by admin on Fri Dec 15 15:39:34 UTC 2023
WHO-ATC C01AA01
Created by admin on Fri Dec 15 15:39:34 UTC 2023 , Edited by admin on Fri Dec 15 15:39:34 UTC 2023
NCI_THESAURUS C47793
Created by admin on Fri Dec 15 15:39:34 UTC 2023 , Edited by admin on Fri Dec 15 15:39:34 UTC 2023
NCI_THESAURUS C66894
Created by admin on Fri Dec 15 15:39:34 UTC 2023 , Edited by admin on Fri Dec 15 15:39:34 UTC 2023
Code System Code Type Description
FDA UNII
0ZV4Q4L2FU
Created by admin on Fri Dec 15 15:39:34 UTC 2023 , Edited by admin on Fri Dec 15 15:39:34 UTC 2023
PRIMARY
WIKIPEDIA
ACETYLDIGITOXIN
Created by admin on Fri Dec 15 15:39:34 UTC 2023 , Edited by admin on Fri Dec 15 15:39:34 UTC 2023
PRIMARY
ChEMBL
CHEMBL3545057
Created by admin on Fri Dec 15 15:39:34 UTC 2023 , Edited by admin on Fri Dec 15 15:39:34 UTC 2023
PRIMARY
CHEBI
53773
Created by admin on Fri Dec 15 15:39:34 UTC 2023 , Edited by admin on Fri Dec 15 15:39:34 UTC 2023
PRIMARY
DAILYMED
0ZV4Q4L2FU
Created by admin on Fri Dec 15 15:39:34 UTC 2023 , Edited by admin on Fri Dec 15 15:39:34 UTC 2023
PRIMARY
EVMPD
SUB05230MIG
Created by admin on Fri Dec 15 15:39:34 UTC 2023 , Edited by admin on Fri Dec 15 15:39:34 UTC 2023
PRIMARY
DRUG CENTRAL
67
Created by admin on Fri Dec 15 15:39:34 UTC 2023 , Edited by admin on Fri Dec 15 15:39:34 UTC 2023
PRIMARY
DRUG BANK
DB00511
Created by admin on Fri Dec 15 15:39:34 UTC 2023 , Edited by admin on Fri Dec 15 15:39:34 UTC 2023
PRIMARY
MERCK INDEX
m1354
Created by admin on Fri Dec 15 15:39:34 UTC 2023 , Edited by admin on Fri Dec 15 15:39:34 UTC 2023
PRIMARY Merck Index
CAS
1111-39-3
Created by admin on Fri Dec 15 15:39:34 UTC 2023 , Edited by admin on Fri Dec 15 15:39:34 UTC 2023
PRIMARY
EPA CompTox
DTXSID6022551
Created by admin on Fri Dec 15 15:39:34 UTC 2023 , Edited by admin on Fri Dec 15 15:39:34 UTC 2023
PRIMARY
ECHA (EC/EINECS)
214-178-4
Created by admin on Fri Dec 15 15:39:34 UTC 2023 , Edited by admin on Fri Dec 15 15:39:34 UTC 2023
PRIMARY
IUPHAR
6794
Created by admin on Fri Dec 15 15:39:34 UTC 2023 , Edited by admin on Fri Dec 15 15:39:34 UTC 2023
PRIMARY
SMS_ID
100000084600
Created by admin on Fri Dec 15 15:39:34 UTC 2023 , Edited by admin on Fri Dec 15 15:39:34 UTC 2023
PRIMARY
PUBCHEM
5284512
Created by admin on Fri Dec 15 15:39:34 UTC 2023 , Edited by admin on Fri Dec 15 15:39:34 UTC 2023
PRIMARY
INN
792
Created by admin on Fri Dec 15 15:39:34 UTC 2023 , Edited by admin on Fri Dec 15 15:39:34 UTC 2023
PRIMARY
NCI_THESAURUS
C65212
Created by admin on Fri Dec 15 15:39:34 UTC 2023 , Edited by admin on Fri Dec 15 15:39:34 UTC 2023
PRIMARY
RXCUI
132871
Created by admin on Fri Dec 15 15:39:34 UTC 2023 , Edited by admin on Fri Dec 15 15:39:34 UTC 2023
PRIMARY RxNorm