GEFARNATE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: A02BX07
UNII: 1ISE2Y6ULA

Structure
InChI Key ZPACYDRSPFRDHO-ROBAGEODSA-N
Smile CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(=O)OC/C=C(\C)CCC=C(C)C
InChI
InChI=1S/C27H44O2/c1-22(2)12-8-14-24(5)16-10-17-25(6)18-11-19-27(28)29-21-20-26(7)15-9-13-23(3)4/h12-13,16,18,20H,8-11,14-15,17,19,21H2,1-7H3/b24-16+,25-18+,26-20+

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H44O2
Molecular Weight 400.65
AlogP 8.42
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 14.0
Polar Surface Area 26.3
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 29.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Cerebrovascular Disorders 3 D002561 ClinicalTrials
Duodenal Ulcer 3 D004381 ClinicalTrials
Stomach Ulcer 3 D013276 ClinicalTrials
Coronary Disease 2 D003327 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 51-77-4
ChEBI 31646
ChEMBL CHEMBL2105085
DrugBank DB12079
DrugCentral 1281
EPA CompTox DTXSID0048636
FDA SRS 1ISE2Y6ULA
PubChem 5282182
SureChEMBL SCHEMBL148495
ZINC ZINC000003872668
CONTENTS