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

Details

Stereochemistry ACHIRAL
Molecular Formula C16H28O5.Ca
Molecular Weight 340.469
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GEMCABENE CALCIUM

SMILES

[Ca++].CC(C)(CCCCOCCCCC(C)(C)C([O-])=O)C([O-])=O

InChI

InChIKey=ZJKZKKPIKDNHDM-UHFFFAOYSA-L
InChI=1S/C16H30O5.Ca/c1-15(2,13(17)18)9-5-7-11-21-12-8-6-10-16(3,4)14(19)20;/h5-12H2,1-4H3,(H,17,18)(H,19,20);/q;+2/p-2

HIDE SMILES / InChI

Approval Year

Name Type Language
GEMCABENE CALCIUM
USAN  
USAN  
Official Name English
HEXANOIC ACID, 6,6'-OXYBIS(2,2-DIMETHYL-, CALCIUM SALT (1:1)
Common Name English
PD-072953-0038
Code English
GEMCABENE CALCIUM [USAN]
Common Name English
CI-1027
Code English
CALCIUM 6,6'-OXYBIS(2,2-DIMETHYLHEXANOATE)
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C98150
Created by admin on Fri Dec 15 15:30:34 UTC 2023 , Edited by admin on Fri Dec 15 15:30:34 UTC 2023
Code System Code Type Description
CAS
209789-08-2
Created by admin on Fri Dec 15 15:30:34 UTC 2023 , Edited by admin on Fri Dec 15 15:30:34 UTC 2023
PRIMARY
EPA CompTox
DTXSID00175181
Created by admin on Fri Dec 15 15:30:34 UTC 2023 , Edited by admin on Fri Dec 15 15:30:34 UTC 2023
PRIMARY
PUBCHEM
157691
Created by admin on Fri Dec 15 15:30:34 UTC 2023 , Edited by admin on Fri Dec 15 15:30:34 UTC 2023
PRIMARY
SMS_ID
300000042560
Created by admin on Fri Dec 15 15:30:34 UTC 2023 , Edited by admin on Fri Dec 15 15:30:34 UTC 2023
PRIMARY
USAN
NN-10
Created by admin on Fri Dec 15 15:30:34 UTC 2023 , Edited by admin on Fri Dec 15 15:30:34 UTC 2023
PRIMARY
NCI_THESAURUS
C75255
Created by admin on Fri Dec 15 15:30:34 UTC 2023 , Edited by admin on Fri Dec 15 15:30:34 UTC 2023
PRIMARY
ChEMBL
CHEMBL2110686
Created by admin on Fri Dec 15 15:30:34 UTC 2023 , Edited by admin on Fri Dec 15 15:30:34 UTC 2023
PRIMARY
FDA UNII
Z9AM8GST2F
Created by admin on Fri Dec 15 15:30:34 UTC 2023 , Edited by admin on Fri Dec 15 15:30:34 UTC 2023
PRIMARY