BERAPROST SODIUM

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: Salt
UNII: 15K99VDU5F
Parent Compound: BERAPROST

Structure
InChI Key YTCZZXIRLARSET-VJRSQJMHSA-M
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.[Na+]
InChI
InChI=1S/C24H30O5.Na/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);/q;+1/p-1/b13-12+;/t15?,17-,19+,20+,21-,23-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H29NaO5
Molecular Weight 420.48
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
Hypertension, Pulmonary 3 D006976 ClinicalTrials
Kidney Diseases 1 D007674 ClinicalTrials

Related Entries

Scaffolds

Parent

Cross References

Resources Reference
ChEBI 31270
ChEMBL CHEMBL435883
DrugBank DB05229
EPA CompTox DTXSID2048585
FDA SRS 15K99VDU5F
PubChem 23663404
SureChEMBL SCHEMBL22096
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