CARBOPROST

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC G02AD04
UNII 7B5032XT6O
EPA CompTox DTXSID4022739

Structure

InChI Key DLJKPYFALUEJCK-IIELGFQLSA-N
Smiles CCCCC[C@](C)(O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
InChI
InChI=1S/C21H36O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-19,22-23,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5-,14-12+/t16-,17-,18+,19-,21+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H36O5
Molecular Weight 368.51
AlogP 3.43
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 12.0
Polar Surface Area 97.99
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 26.0

Related Entries

Cross References

Resources Reference
ChEBI 3403
ChEMBL CHEMBL1237122
DrugCentral 502
FDA SRS 7B5032XT6O
KEGG C06872
PubChem 5281075
SureChEMBL SCHEMBL433553
ZINC ZINC000016343305
CONTENTS