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

Details

Stereochemistry ABSOLUTE
Molecular Formula C36H56O14
Molecular Weight 712.8214
Optical Activity UNSPECIFIED
Defined Stereocenters 19 / 19
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIGITALIN

SMILES

[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H]([C@@H](O)C[C@]34O)C5=CC(=O)OC5)[C@@]1(C)CC[C@@H](C2)O[C@]6([H])O[C@H](C)[C@]([H])(O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](OC)[C@H]6O

InChI

InChIKey=CKNOLMVLQUPVMU-YMMLYESFSA-N
InChI=1S/C36H56O14/c1-16-30(50-32-28(42)27(41)26(40)23(14-37)49-32)31(45-4)29(43)33(47-16)48-19-7-9-34(2)18(12-19)5-6-21-20(34)8-10-35(3)25(17-11-24(39)46-15-17)22(38)13-36(21,35)44/h11,16,18-23,25-33,37-38,40-44H,5-10,12-15H2,1-4H3/t16-,18-,19+,20+,21-,22+,23-,25+,26-,27+,28-,29-,30+,31-,32+,33+,34+,35-,36+/m1/s1

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Acenocoumarol and vasculitis: a case report.
2007 Jan
Patents

Patents

Name Type Language
DIGITALIN
MART.   MI   WHO-DD  
Common Name English
DIGITALINUM
HPUS  
Common Name English
DIGITALINUM TRUE
Common Name English
Digitalin [WHO-DD]
Common Name English
DIGITALINUM [HPUS]
Common Name English
DIGITALINUM VERUM
Common Name English
(3.BETA.,5.BETA.,16.BETA.)-3-((6-DEOXY-4-O-.BETA.-D-GLUCOPYRANOSYL-3-O-METHYL-.BETA.-D-GALACTOPYRANOSYL)OXY)-14,16-DIHYDROXYCARD-20(22)-ENOLIDE
Common Name English
DIGITALIN [MI]
Common Name English
SCHMIEDEBERG'S DIGITALIN
Common Name English
DIGITALIN [MART.]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C47793
Created by admin on Fri Dec 15 15:07:04 GMT 2023 , Edited by admin on Fri Dec 15 15:07:04 GMT 2023
Code System Code Type Description
FDA UNII
Q15ECE254B
Created by admin on Fri Dec 15 15:07:04 GMT 2023 , Edited by admin on Fri Dec 15 15:07:04 GMT 2023
PRIMARY
MESH
C034791
Created by admin on Fri Dec 15 15:07:04 GMT 2023 , Edited by admin on Fri Dec 15 15:07:04 GMT 2023
PRIMARY
SMS_ID
100000079780
Created by admin on Fri Dec 15 15:07:04 GMT 2023 , Edited by admin on Fri Dec 15 15:07:04 GMT 2023
PRIMARY
DRUG CENTRAL
3143
Created by admin on Fri Dec 15 15:07:04 GMT 2023 , Edited by admin on Fri Dec 15 15:07:04 GMT 2023
PRIMARY
WIKIPEDIA
Digitalin
Created by admin on Fri Dec 15 15:07:04 GMT 2023 , Edited by admin on Fri Dec 15 15:07:04 GMT 2023
PRIMARY
PUBCHEM
441856
Created by admin on Fri Dec 15 15:07:04 GMT 2023 , Edited by admin on Fri Dec 15 15:07:04 GMT 2023
PRIMARY
DAILYMED
Q15ECE254B
Created by admin on Fri Dec 15 15:07:04 GMT 2023 , Edited by admin on Fri Dec 15 15:07:04 GMT 2023
PRIMARY
CAS
752-61-4
Created by admin on Fri Dec 15 15:07:04 GMT 2023 , Edited by admin on Fri Dec 15 15:07:04 GMT 2023
PRIMARY
RXCUI
1923401
Created by admin on Fri Dec 15 15:07:04 GMT 2023 , Edited by admin on Fri Dec 15 15:07:04 GMT 2023
PRIMARY
MERCK INDEX
m4447
Created by admin on Fri Dec 15 15:07:04 GMT 2023 , Edited by admin on Fri Dec 15 15:07:04 GMT 2023
PRIMARY Merck Index
EPA CompTox
DTXSID801024550
Created by admin on Fri Dec 15 15:07:04 GMT 2023 , Edited by admin on Fri Dec 15 15:07:04 GMT 2023
PRIMARY
CHEBI
28143
Created by admin on Fri Dec 15 15:07:04 GMT 2023 , Edited by admin on Fri Dec 15 15:07:04 GMT 2023
PRIMARY
NCI_THESAURUS
C61723
Created by admin on Fri Dec 15 15:07:04 GMT 2023 , Edited by admin on Fri Dec 15 15:07:04 GMT 2023
PRIMARY
EVMPD
SUB13578MIG
Created by admin on Fri Dec 15 15:07:04 GMT 2023 , Edited by admin on Fri Dec 15 15:07:04 GMT 2023
PRIMARY
ECHA (EC/EINECS)
212-036-6
Created by admin on Fri Dec 15 15:07:04 GMT 2023 , Edited by admin on Fri Dec 15 15:07:04 GMT 2023
PRIMARY