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Details

Stereochemistry RACEMIC
Molecular Formula 2C18H35O3.Ca
Molecular Weight 639.015
Optical Activity ( + / - )
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALCIUM BIS(12-HYDROXYSTEARATE)

SMILES

[Ca++].CCCCCCC(O)CCCCCCCCCCC([O-])=O.CCCCCCC(O)CCCCCCCCCCC([O-])=O

InChI

InChIKey=RXPKHKBYUIHIGL-UHFFFAOYSA-L
InChI=1S/2C18H36O3.Ca/c2*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h2*17,19H,2-16H2,1H3,(H,20,21);/q;;+2/p-2

HIDE SMILES / InChI

Molecular Formula C18H35O3
Molecular Weight 299.4687
Charge -1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

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 08:13:33 GMT 2023
Edited
by admin
on Sat Dec 16 08:13:33 GMT 2023
Record UNII
V1I7239M6R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CALCIUM BIS(12-HYDROXYSTEARATE)
Systematic Name English
CALCIUM 12-HYDROXYOCTADECANOATE
Systematic Name English
CALCIUM HYDROXYSTEARATE
Systematic Name English
CALCIUM DI-12-HYDROXYSTEARATE
Systematic Name English
12-HYDROXYOCTADECANOIC ACID CALCIUM SALT (2:1)
Systematic Name English
12-HYDROXYSTEARIC ACID CALCIUM SALT
Systematic Name English
OCTADECANOIC ACID, 12-HYDROXY-, CALCIUM SALT (2:1)
Common Name English
CALCIUM 12-HYDROXYSTEARATE
Systematic Name English
Code System Code Type Description
CAS
3159-62-4
Created by admin on Sat Dec 16 08:13:33 GMT 2023 , Edited by admin on Sat Dec 16 08:13:33 GMT 2023
PRIMARY
ECHA (EC/EINECS)
221-605-8
Created by admin on Sat Dec 16 08:13:33 GMT 2023 , Edited by admin on Sat Dec 16 08:13:33 GMT 2023
PRIMARY
PUBCHEM
102376
Created by admin on Sat Dec 16 08:13:33 GMT 2023 , Edited by admin on Sat Dec 16 08:13:33 GMT 2023
PRIMARY
FDA UNII
V1I7239M6R
Created by admin on Sat Dec 16 08:13:33 GMT 2023 , Edited by admin on Sat Dec 16 08:13:33 GMT 2023
PRIMARY
EPA CompTox
DTXSID9027524
Created by admin on Sat Dec 16 08:13:33 GMT 2023 , Edited by admin on Sat Dec 16 08:13:33 GMT 2023
PRIMARY