GEMEPROST

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC G02AD03
UNII 45KZB1FOLS
EPA CompTox DTXSID40895073

Structure

InChI Key KYBOHGVERHWSSV-VNIVIJDLSA-N
Smiles CCCCC(C)(C)[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC/C=C/C(=O)OC
InChI
InChI=1S/C23H38O5/c1-5-6-15-23(2,3)21(26)14-13-18-17(19(24)16-20(18)25)11-9-7-8-10-12-22(27)28-4/h10,12-14,17-18,20-21,25-26H,5-9,11,15-16H2,1-4H3/b12-10+,14-13+/t17-,18-,20-,21-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H38O5
Molecular Weight 394.55
AlogP 3.98
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 12.0
Polar Surface Area 83.83
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 28.0

Related Entries

Cross References

Resources Reference
ChEBI 135626
ChEMBL CHEMBL1908315
DrugBank DB08964
DrugCentral 1284
FDA SRS 45KZB1FOLS
PubChem 5282237
SureChEMBL SCHEMBL343075
ZINC ZINC000004216393
CONTENTS