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Details

Stereochemistry EPIMERIC
Molecular Formula C24H29O5.Na
Molecular Weight 420.4738
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 6
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BERAPROST SODIUM

SMILES

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

InChI

InChIKey=YTCZZXIRLARSET-VJRSQJMHSA-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

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C24H29O5
Molecular Weight 397.4841
Charge -1
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 5 / 6
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:40:46 UTC 2023
Edited
by admin
on Fri Dec 15 15:40:46 UTC 2023
Record UNII
15K99VDU5F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BERAPROST SODIUM
JAN   MART.   USAN   WHO-DD  
USAN  
Official Name English
Beraprost sodium [WHO-DD]
Common Name English
PROCYLIN
Brand Name English
BERAPROST SODIUM [USAN]
Common Name English
TRK-100
Code English
SODIUM (±)-(1R,2R,3AS,8BS)-2,3,3A,8B-TETRAHYDRO-2-HYDROXY-1-((E)-(3S,4RS)-3-HYDROXY-4-METHYL-1-OCTEN-6-YNYL)-1H-CYCLOPENTA(B)BENZOFURAN-5-BUTYRATE
Common Name English
2,3,3A,8B-TETRAHYDRO-2-HYDROXY-1((E)-(3S)-3-HYDROXY-4-METHYL-1-OCTEN-6-YNYL)-1H-CYCLOPENTA(B)BENZOFURAN-5-BUTYRIC ACID SODIUM SALT
Common Name English
BERAPROST SODIUM SALT
MI  
Common Name English
TRK-100STP
Code English
BERAPROST SODIUM SALT [MI]
Common Name English
1H-CYCLOPENTA(B)BENZOFURAN-5-BUTANOIC ACID, 2,3,3A,8B-TETRAHYDRO-2-HYDROXY-1-(3-HYDROXY-4-METHYL-1-OCTEN-6-YNYL)-, MONOSODIUM SALT
Common Name English
BERAPROST SODIUM [JAN]
Common Name English
MDL-201129
Code English
ML-1129
Code English
BERAPROST SODIUM [MART.]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C78568
Created by admin on Fri Dec 15 15:40:46 UTC 2023 , Edited by admin on Fri Dec 15 15:40:46 UTC 2023
EU-Orphan Drug EU/3/01/053
Created by admin on Fri Dec 15 15:40:46 UTC 2023 , Edited by admin on Fri Dec 15 15:40:46 UTC 2023
Code System Code Type Description
MERCK INDEX
m2424
Created by admin on Fri Dec 15 15:40:46 UTC 2023 , Edited by admin on Fri Dec 15 15:40:46 UTC 2023
PRIMARY Merck Index
NCI_THESAURUS
C79991
Created by admin on Fri Dec 15 15:40:46 UTC 2023 , Edited by admin on Fri Dec 15 15:40:46 UTC 2023
PRIMARY
PUBCHEM
23663404
Created by admin on Fri Dec 15 15:40:46 UTC 2023 , Edited by admin on Fri Dec 15 15:40:46 UTC 2023
PRIMARY
CHEBI
31270
Created by admin on Fri Dec 15 15:40:46 UTC 2023 , Edited by admin on Fri Dec 15 15:40:46 UTC 2023
PRIMARY
FDA UNII
15K99VDU5F
Created by admin on Fri Dec 15 15:40:46 UTC 2023 , Edited by admin on Fri Dec 15 15:40:46 UTC 2023
PRIMARY
EVMPD
SUB00759MIG
Created by admin on Fri Dec 15 15:40:46 UTC 2023 , Edited by admin on Fri Dec 15 15:40:46 UTC 2023
PRIMARY
ChEMBL
CHEMBL1207745
Created by admin on Fri Dec 15 15:40:46 UTC 2023 , Edited by admin on Fri Dec 15 15:40:46 UTC 2023
PRIMARY
CAS
88475-69-8
Created by admin on Fri Dec 15 15:40:46 UTC 2023 , Edited by admin on Fri Dec 15 15:40:46 UTC 2023
PRIMARY
USAN
DD-17
Created by admin on Fri Dec 15 15:40:46 UTC 2023 , Edited by admin on Fri Dec 15 15:40:46 UTC 2023
PRIMARY
EPA CompTox
DTXSID2048585
Created by admin on Fri Dec 15 15:40:46 UTC 2023 , Edited by admin on Fri Dec 15 15:40:46 UTC 2023
PRIMARY
SMS_ID
100000085021
Created by admin on Fri Dec 15 15:40:46 UTC 2023 , Edited by admin on Fri Dec 15 15:40:46 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY