Istaroxime
(3E,5S,8R,9S,10R,13S,14S)-3-(2-aminoethoxyimino)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione
Molecular Identity
Istaroxime
(3E,5S,8R,9S,10R,13S,14S)-3-(2-aminoethoxyimino)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione
PubChem CID: 9841834
2D Structure
Properties
C21H32N2O3
Molecular Formula
360.50
Molecular Weight
g/mol
360.2413
Exact Mass
Da
1.5
XLogP
Drug-like (Lipinski: < 5)
81.8
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
645
Complexity
SMILES
Canonical SMILES
SMILES: CC12CCC(=NOCCN)CC1C(=O)CC3C2CCC4(C3CCC4=O)CIsomeric SMILES
SMILES: C[C@]12CC/C(=N\OCCN)/C[C@@H]1C(=O)C[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)CSynonyms(20)
IstaroximePST-2744W8I9H2TPPLPST2744Istaroxima(E,Z)-IstaroximeistaroximumRefChem:7924613-((2-Aminoethoxy)imino)androstane-6,17-dione(3aS,3bR,5aS,7E,9aR,9bS,11aS)-7-((2-aminoethoxy)imino)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta(a)phenanthrene-1,5-dione203737-93-3Istaroxime [INN]Istaroxime, (E)-UNII-W8I9H2TPPLPST 2744
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Istaroxime
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