BERAPROST

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: Parent
ATC: B01AC19
UNII: 35E3NJJ4O6

Structure
InChI Key CTPOHARTNNSRSR-APJZLKAGSA-N
Smile CC#CCC(C)[C@H](O)/C=C/[C@@H]1[C@H]2c3cccc(CCCC(=O)O)c3O[C@H]2C[C@H]1O
InChI
InChI=1S/C24H30O5/c1-3-4-7-15(2)19(25)13-12-17-20(26)14-21-23(17)18-10-5-8-16(24(18)29-21)9-6-11-22(27)28/h5,8,10,12-13,15,17,19-21,23,25-26H,6-7,9,11,14H2,1-2H3,(H,27,28)/b13-12+/t15?,17-,19+,20+,21-,23-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H30O5
Molecular Weight 398.5
AlogP 3.29
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 86.99
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 29.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Renal Insufficiency, Chronic 2 D051436 ClinicalTrials

Related Entries

MCS

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 88430-50-6
ChEBI 135633
ChEMBL CHEMBL1207745
DrugCentral 343
EPA CompTox DTXSID7049136
FDA SRS 35E3NJJ4O6
Guide to Pharmacology 1967
PubChem 6917951
SureChEMBL SCHEMBL16904620
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