CHEBI:135885 - metildigoxin

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ChEBI Name metildigoxin
ChEBI ID CHEBI:135885
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C42H66O14
Net Charge 0
Average Mass 794.967
Monoisotopic Mass 794.44526
InChI InChI=1S/C42H66O14/c1-20-37(49-6)29(43)16-35(51-20)55-39-22(3)53-36(18-31(39)45)56-38-21(2)52-34(17-30(38)44)54-25-9-11-40(4)24(14-25)7-8-27-28(40)15-32(46)41(5)26(10-12-42(27,41)48)23-13-33(47)50-19-23/h13,20-22,24-32,34-39,43-46,48H,7-12,14-19H2,1-6H3/t20-,21-,22-,24-,25+,26-,27-,28+,29+,30+,31+,32-,34+,35+,36+,37-,38-,39-,40+,41+,42+/m1/s1
InChIKey IYJMSDVSVHDVGT-PEQKVOOWSA-N
SMILES O[C@@]12[C@@](C)([C@H](CC1)C3=CC(OC3)=O)[C@H](O)C[C@]4([C@]2(CC[C@]5([C@]4(C)CC[C@@H](C5)O[C@]6(C[C@H](O)[C@@H]([C@H](O6)C)O[C@]7(C[C@H](O)[C@@H]([C@H](O7)C)O[C@]8(C[C@H](O)[C@@H]([C@H](O8)C)OC)[H])[H])[H])[H])[H])[H]
Roles Classification
Application(s): cardioprotective agent
Any protective agent that is able to prevent damage to the heart.
(via cardiac glycoside )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing metildigoxin (CHEBI:135885) is a cardenolide glycoside (CHEBI:38092)
Synonyms Sources
4'''-Methyldigoxin DrugCentral
beta-Methyldigoxin DrugCentral
lanirapid DrugCentral
lanitop DrugCentral
medigoxin DrugCentral
methyldigoxin DrugCentral
Manual Xref Database
1761 DrugCentral
View more database links
Registry Number Type Source
30685-43-9 CAS Registry Number DrugCentral
Last Modified
23 February 2017