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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H34F2O5
Molecular Weight 404.4885
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of COBIPROSTONE

SMILES

[H][C@@]12CC(=O)[C@H](CCCCCCC(O)=O)[C@@]1([H])CC[C@@](O)(O2)C(F)(F)C[C@@H](C)CC

InChI

InChIKey=SDDSJMXGJNWMJY-BRHAQHMBSA-N
InChI=1S/C21H34F2O5/c1-3-14(2)13-20(22,23)21(27)11-10-16-15(17(24)12-18(16)28-21)8-6-4-5-7-9-19(25)26/h14-16,18,27H,3-13H2,1-2H3,(H,25,26)/t14-,15+,16+,18+,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H34F2O5
Molecular Weight 404.4885
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:42:40 UTC 2023
Edited
by admin
on Fri Dec 15 15:42:40 UTC 2023
Record UNII
IL870Q3Z8I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
COBIPROSTONE
INN   USAN   WHO-DD  
USAN   INN  
Official Name English
7-[(2R,4aR,5R,7aR)-2-[(3S)-1,1-Difluoro-3-methylpentyl]-2-hydroxy-6-oxooctahydrocyclopenta[b]pyran-5-yl]heptanoic acid
Systematic Name English
COBIPROSTONE [USAN]
Common Name English
Cobiprostone [WHO-DD]
Common Name English
cobiprostone [INN]
Common Name English
SPI-8811
Code English
Classification Tree Code System Code
FDA ORPHAN DRUG 158302
Created by admin on Fri Dec 15 15:42:40 UTC 2023 , Edited by admin on Fri Dec 15 15:42:40 UTC 2023
NCI_THESAURUS C78276
Created by admin on Fri Dec 15 15:42:40 UTC 2023 , Edited by admin on Fri Dec 15 15:42:40 UTC 2023
Code System Code Type Description
USAN
SS-121
Created by admin on Fri Dec 15 15:42:40 UTC 2023 , Edited by admin on Fri Dec 15 15:42:40 UTC 2023
PRIMARY
FDA UNII
IL870Q3Z8I
Created by admin on Fri Dec 15 15:42:40 UTC 2023 , Edited by admin on Fri Dec 15 15:42:40 UTC 2023
PRIMARY
INN
8865
Created by admin on Fri Dec 15 15:42:40 UTC 2023 , Edited by admin on Fri Dec 15 15:42:40 UTC 2023
PRIMARY
PUBCHEM
16757521
Created by admin on Fri Dec 15 15:42:40 UTC 2023 , Edited by admin on Fri Dec 15 15:42:40 UTC 2023
PRIMARY
SMS_ID
100000178230
Created by admin on Fri Dec 15 15:42:40 UTC 2023 , Edited by admin on Fri Dec 15 15:42:40 UTC 2023
PRIMARY
CAS
333963-42-1
Created by admin on Fri Dec 15 15:42:40 UTC 2023 , Edited by admin on Fri Dec 15 15:42:40 UTC 2023
PRIMARY
NCI_THESAURUS
C78117
Created by admin on Fri Dec 15 15:42:40 UTC 2023 , Edited by admin on Fri Dec 15 15:42:40 UTC 2023
PRIMARY
DRUG BANK
DB05514
Created by admin on Fri Dec 15 15:42:40 UTC 2023 , Edited by admin on Fri Dec 15 15:42:40 UTC 2023
PRIMARY
ChEMBL
CHEMBL2103799
Created by admin on Fri Dec 15 15:42:40 UTC 2023 , Edited by admin on Fri Dec 15 15:42:40 UTC 2023
PRIMARY
EPA CompTox
DTXSID80187025
Created by admin on Fri Dec 15 15:42:40 UTC 2023 , Edited by admin on Fri Dec 15 15:42:40 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
Related Record Type Details
ACTIVE MOIETY