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

Details

Stereochemistry ACHIRAL
Molecular Formula C26H32O6.2K
Molecular Weight 518.7253
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CI-924 DIPOTASSIUM

SMILES

[K+].[K+].CC(C)(CCCOC1=CC=C(OCCCC(C)(C)C([O-])=O)C(=C1)C2=CC=CC=C2)C([O-])=O

InChI

InChIKey=CGTCAGRLDJFVFU-UHFFFAOYSA-L
InChI=1S/C26H34O6.2K/c1-25(2,23(27)28)14-8-16-31-20-12-13-22(21(18-20)19-10-6-5-7-11-19)32-17-9-15-26(3,4)24(29)30;;/h5-7,10-13,18H,8-9,14-17H2,1-4H3,(H,27,28)(H,29,30);;/q;2*+1/p-2

HIDE SMILES / InChI

Molecular Formula K
Molecular Weight 39.0983
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C26H32O6
Molecular Weight 440.5287
Charge -2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:56:05 UTC 2023
Edited
by admin
on Sat Dec 16 14:56:05 UTC 2023
Record UNII
9Q8X742ZCS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CI-924 DIPOTASSIUM
Code English
PENTANOIC ACID, 5,5'-((1,1'-BIPHENYL)-2,5-DIYLBIS(OXY))BIS(2,2-DIMETHYL-, DIPOTASSIUM SALT
Systematic Name English
Code System Code Type Description
PUBCHEM
133082707
Created by admin on Sat Dec 16 14:56:05 UTC 2023 , Edited by admin on Sat Dec 16 14:56:05 UTC 2023
PRIMARY
CAS
114414-05-0
Created by admin on Sat Dec 16 14:56:05 UTC 2023 , Edited by admin on Sat Dec 16 14:56:05 UTC 2023
PRIMARY
FDA UNII
9Q8X742ZCS
Created by admin on Sat Dec 16 14:56:05 UTC 2023 , Edited by admin on Sat Dec 16 14:56:05 UTC 2023
PRIMARY
CAS
114414-08-3
Created by admin on Sat Dec 16 14:56:05 UTC 2023 , Edited by admin on Sat Dec 16 14:56:05 UTC 2023
NON-SPECIFIC STOICHIOMETRY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY