sulprostone   Click here for help

GtoPdb Ligand ID: 1919

Synonyms: CP-34089 | nalador | ZK-57671
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 13
Topological polar surface area 138.38
Molecular weight 465.18
XLogP 1.41
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES O=C(NS(=O)(=O)C)CCCC=CCC1C(=O)CC(C1C=CC(COc1ccccc1)O)O
Isomeric SMILES O=C(NS(=O)(=O)C)CCC/C=C\C[C@H]1C(=O)C[C@H]([C@@H]1/C=C/[C@H](COc1ccccc1)O)O
InChI InChI=1S/C23H31NO7S/c1-32(29,30)24-23(28)12-8-3-2-7-11-19-20(22(27)15-21(19)26)14-13-17(25)16-31-18-9-5-4-6-10-18/h2,4-7,9-10,13-14,17,19-20,22,25,27H,3,8,11-12,15-16H2,1H3,(H,24,28)/b7-2-,14-13+/t17-,19-,20-,22-/m1/s1
InChI Key UQZVCDCIMBLVNR-TWYODKAFSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3R)-3-hydroxy-4-(phenoxy)but-1-enyl]-5-oxocyclopentyl]-N-methylsulfonylhept-5-enamide
International Nonproprietary Names Click here for help
INN number INN
4243 sulprostone
Synonyms Click here for help
CP-34089 | nalador | ZK-57671
Database Links Click here for help
CAS Registry No. 60325-46-4 (source: Scifinder)
ChEMBL Ligand CHEMBL1472830
DrugCentral Ligand 2538
GtoPdb PubChem SID 135651094
PubChem CID 5312153
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UniChem Compound Search for chemical match using the InChIKey UQZVCDCIMBLVNR-TWYODKAFSA-N
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Tocris
Sulprostone (links to external site)
Cat. No. 3049