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Name | ILOPROST |
---|---|
Molecular formula | C22H32O4 |
IUPAC name | (5E)-5-[(3aS,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid |
Molecular weight | 360.494 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 3 |
XlogP | 2.8 |
Synonyms | Ventavis (TN) (E)-(3aS,4R,5R,6aS)-Hexahydro-5-hydroxy-4-((E)-(3S,4RS)-3-hydroxy-4-methyl-1-octen-6-ynyl)-delta(sup 2(1H),delta)-pentalenevaleric acid AN-10394 DTXSID2041046 LS-101845 [ Show all ] |
Inchi Key | HIFJCPQKFCZDDL-SGSAMSKHSA-N |
Inchi ID | InChI=1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15?,17-,18?,19-,20+,21+/m0/s1 |
PubChem CID | 6435378 |
ChEMBL | N/A |
IUPHAR | 1895 |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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