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
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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
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
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
Specialist databases
GPCRdb Ligand sulprostone
Other databases
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
UniChem Connectivity Search for chemical match using the InChIKey UQZVCDCIMBLVNR-TWYODKAFSA-N
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Sulprostone (links to external site)
Cat. No. 3049