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Details

Stereochemistry MIXED
Molecular Formula 2C18H33I2O2.Ca
Molecular Weight 1110.603
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALCIUM DIIODOSTEARATE

SMILES

[Ca++].CCCCCCC(I)CCC(I)CCCCCCCC([O-])=O.CCCCCCC(I)CCC(I)CCCCCCCC([O-])=O

InChI

InChIKey=KMDFGURWVNEJQG-UHFFFAOYSA-L
InChI=1S/2C18H34I2O2.Ca/c2*1-2-3-4-8-11-16(19)14-15-17(20)12-9-6-5-7-10-13-18(21)22;/h2*16-17H,2-15H2,1H3,(H,21,22);/q;;+2/p-2

HIDE SMILES / InChI

Molecular Formula C18H33I2O2
Molecular Weight 535.2624
Charge -1
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula Ca
Molecular Weight 40.078
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 06:57:26 GMT 2023
Edited
by admin
on Sat Dec 16 06:57:26 GMT 2023
Record UNII
XM737LR4YE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CALCIUM DIIODOSTEARATE
JAN   WHO-DD  
Systematic Name English
DIIODOSTEARATE CALCIUM
Systematic Name English
(±)-CALCIUM DIIODOSTEARATE
Systematic Name English
CALCIUM DIIODOSTEARATE [JAN]
Common Name English
Calcium diiodostearate [WHO-DD]
Common Name English
OCTADECANOIC ACID, 9,12-DIIODO-, CALCIUM SALT (2:1)
Common Name English
Code System Code Type Description
PUBCHEM
636418
Created by admin on Sat Dec 16 06:57:26 GMT 2023 , Edited by admin on Sat Dec 16 06:57:26 GMT 2023
PRIMARY
FDA UNII
XM737LR4YE
Created by admin on Sat Dec 16 06:57:26 GMT 2023 , Edited by admin on Sat Dec 16 06:57:26 GMT 2023
PRIMARY
CAS
74988-01-5
Created by admin on Sat Dec 16 06:57:26 GMT 2023 , Edited by admin on Sat Dec 16 06:57:26 GMT 2023
PRIMARY
ChEMBL
CHEMBL2110874
Created by admin on Sat Dec 16 06:57:26 GMT 2023 , Edited by admin on Sat Dec 16 06:57:26 GMT 2023
PRIMARY
EPA CompTox
DTXSID10996485
Created by admin on Sat Dec 16 06:57:26 GMT 2023 , Edited by admin on Sat Dec 16 06:57:26 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY