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Details

Stereochemistry RACEMIC
Molecular Formula C24H38O3
Molecular Weight 374.5567
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 5
Charge 0

SHOW SMILES / InChI
Structure of ICOSABUTATE

SMILES

CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCOC(CC)C(O)=O

InChI

InChIKey=VOGXDRFFBBLZBT-AAQCHOMXSA-N
InChI=1S/C24H38O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-23(4-2)24(25)26/h5-6,8-9,11-12,14-15,17-18,23H,3-4,7,10,13,16,19-22H2,1-2H3,(H,25,26)/b6-5-,9-8-,12-11-,15-14-,18-17-

HIDE SMILES / InChI

Molecular Formula C24H38O3
Molecular Weight 374.5567
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 5
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:30:21 UTC 2023
Edited
by admin
on Sat Dec 16 09:30:21 UTC 2023
Record UNII
562599X5JL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ICOSABUTATE
INN   USAN   WHO-DD  
INN   USAN  
Official Name English
PRB-01022
Code English
Icosabutate [WHO-DD]
Common Name English
BUTANOIC ACID, 2-((5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-EICOSAPENTAEN-1-YLOXY)-
Systematic Name English
NST-4016
Code English
rac-2-[(5Z,8Z,11Z,14Z,17Z)Icosa-5,8,11,14,17-pentaen-1-yloxy]butanoic acid
Systematic Name English
ICOSABUTATE [USAN]
Common Name English
icosabutate [INN]
Common Name English
PRC-4016
Code English
Code System Code Type Description
DRUG BANK
DB12990
Created by admin on Sat Dec 16 09:30:21 UTC 2023 , Edited by admin on Sat Dec 16 09:30:21 UTC 2023
PRIMARY
USAN
CD-89
Created by admin on Sat Dec 16 09:30:21 UTC 2023 , Edited by admin on Sat Dec 16 09:30:21 UTC 2023
PRIMARY
NCI_THESAURUS
C166820
Created by admin on Sat Dec 16 09:30:21 UTC 2023 , Edited by admin on Sat Dec 16 09:30:21 UTC 2023
PRIMARY
FDA UNII
562599X5JL
Created by admin on Sat Dec 16 09:30:21 UTC 2023 , Edited by admin on Sat Dec 16 09:30:21 UTC 2023
PRIMARY
ChEMBL
CHEMBL3707220
Created by admin on Sat Dec 16 09:30:21 UTC 2023 , Edited by admin on Sat Dec 16 09:30:21 UTC 2023
PRIMARY
INN
9888
Created by admin on Sat Dec 16 09:30:21 UTC 2023 , Edited by admin on Sat Dec 16 09:30:21 UTC 2023
PRIMARY
PUBCHEM
78210211
Created by admin on Sat Dec 16 09:30:21 UTC 2023 , Edited by admin on Sat Dec 16 09:30:21 UTC 2023
PRIMARY
SMS_ID
100000180107
Created by admin on Sat Dec 16 09:30:21 UTC 2023 , Edited by admin on Sat Dec 16 09:30:21 UTC 2023
PRIMARY
CAS
1253909-57-7
Created by admin on Sat Dec 16 09:30:21 UTC 2023 , Edited by admin on Sat Dec 16 09:30:21 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
PARENT -> DERIVATIVE
Related Record Type Details
ACTIVE MOIETY