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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H44O9
Molecular Weight 548.665
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CYMARIN

SMILES

CO[C@H]1C[C@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C6=CC(=O)OC6)O[C@H](C)[C@H]1O

InChI

InChIKey=XQCGNURMLWFQJR-ZNDDOCHDSA-N
InChI=1S/C30H44O9/c1-17-26(33)23(36-3)13-25(38-17)39-19-4-9-28(16-31)21-5-8-27(2)20(18-12-24(32)37-15-18)7-11-30(27,35)22(21)6-10-29(28,34)14-19/h12,16-17,19-23,25-26,33-35H,4-11,13-15H2,1-3H3/t17-,19+,20-,21+,22-,23+,25+,26-,27-,28+,29+,30+/m1/s1

HIDE SMILES / InChI

Description

Cymarin (or cymarine or k-strophanthidin-alpha) is a cardiac glycoside and an anti-arrhythmia and cardiotonic agent. Cymarin works as an inhibitor of Na+ /K+-ATPase . This inhibition has an inotropic effect on the cardiac muscles increasing their force by approximately 100%.

Approval Year

Unknown
149,124

Targets

Primary TargetPharmacologyConditionPotency
Sodium/potassium-transporting ATPase
34
Inhibitor
8,504

Conditions

ConditionModalityTargetsHighest PhaseProduct

PubMed

Patents

DE2050457A1
1

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Other
In Vitro Use Guide
Unknown
SUBSTANCE RECORD
Structure of CYMARIN
NIH
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