U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H29O5.Na
Molecular Weight 420.4738
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ESUBERAPROST SODIUM

SMILES

[Na+].[H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)[C@@H](C)CC#CC)[C@@]1([H])C3=C(O2)C(CCCC([O-])=O)=CC=C3

InChI

InChIKey=YTCZZXIRLARSET-ZTWNIFTGSA-M
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

HIDE SMILES / InChI

Approval Year

Name Type Language
ESUBERAPROST SODIUM
USAN   WHO-DD  
USAN  
Official Name English
BERAPROST SODIUM 314D
Common Name English
ESUBERAPROST SODIUM [USAN]
Common Name English
APS-314D
Code English
GP-1681
Code English
Esuberaprost sodium [WHO-DD]
Common Name English
(+)-SODIUM 4-((1R,2R,3AS,8BS)-2-HYDROXY-1-((1E,3S,4S)-3-HYDROXY-4-METHYL-OCT-1-EN-6-YN-1-YL)-2,3,3A,8B-TETRAHYDRO-1H-CYCLOPENTA(B)(1)BENZOFURAN-5-YL)BUTANOATE
Systematic Name English
BPS-314D
Code English
GP1681
Code English
APS 314D
Code English
BERAPROST SODIUM, (+)-
Common Name English
1H-CYCLOPENTA(B)BENZOFURAN-5-BUTANOIC ACID, 2,3,3A,8B-TETRAHYDRO-2-HYDROXY-1-((1E,3S,4S)-3-HYDROXY-4-METHYL-1-OCTEN-6-YN-1-YL)-, SODIUM SALT (1:1), (1R,2R,3AS,8BS)-
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 355711
Created by admin on Sat Dec 16 06:34:51 UTC 2023 , Edited by admin on Sat Dec 16 06:34:51 UTC 2023
Code System Code Type Description
CAS
152695-53-9
Created by admin on Sat Dec 16 06:34:51 UTC 2023 , Edited by admin on Sat Dec 16 06:34:51 UTC 2023
PRIMARY
NCI_THESAURUS
C166926
Created by admin on Sat Dec 16 06:34:51 UTC 2023 , Edited by admin on Sat Dec 16 06:34:51 UTC 2023
PRIMARY
USAN
AB-81
Created by admin on Sat Dec 16 06:34:51 UTC 2023 , Edited by admin on Sat Dec 16 06:34:51 UTC 2023
PRIMARY
PUBCHEM
71587534
Created by admin on Sat Dec 16 06:34:51 UTC 2023 , Edited by admin on Sat Dec 16 06:34:51 UTC 2023
PRIMARY
ChEMBL
CHEMBL3137314
Created by admin on Sat Dec 16 06:34:51 UTC 2023 , Edited by admin on Sat Dec 16 06:34:51 UTC 2023
PRIMARY
SMS_ID
100000177220
Created by admin on Sat Dec 16 06:34:51 UTC 2023 , Edited by admin on Sat Dec 16 06:34:51 UTC 2023
PRIMARY
EPA CompTox
DTXSID20165105
Created by admin on Sat Dec 16 06:34:51 UTC 2023 , Edited by admin on Sat Dec 16 06:34:51 UTC 2023
PRIMARY
FDA UNII
6C8TLD4Q9K
Created by admin on Sat Dec 16 06:34:51 UTC 2023 , Edited by admin on Sat Dec 16 06:34:51 UTC 2023
PRIMARY