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Details

Stereochemistry RACEMIC
Molecular Formula C10H22NO6P2.3Na
Molecular Weight 383.2016
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Trisodium hydrogen[[(2-ethylhexyl)imino]bis(methylene)]bisphosphonate

SMILES

[Na+].[Na+].[Na+].CCCCC(CC)CN(CP(O)([O-])=O)CP([O-])([O-])=O

InChI

InChIKey=BLKOZPKUYQOOFQ-UHFFFAOYSA-K
InChI=1S/C10H25NO6P2.3Na/c1-3-5-6-10(4-2)7-11(8-18(12,13)14)9-19(15,16)17;;;/h10H,3-9H2,1-2H3,(H2,12,13,14)(H2,15,16,17);;;/q;3*+1/p-3

HIDE SMILES / InChI

Molecular Formula C10H22NO6P2
Molecular Weight 314.2323
Charge -3
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
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 18:26:38 GMT 2023
Edited
by admin
on Sat Dec 16 18:26:38 GMT 2023
Record UNII
C3VN83QHT8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Trisodium hydrogen[[(2-ethylhexyl)imino]bis(methylene)]bisphosphonate
Systematic Name English
Phosphonic acid, [[(2-ethylhexyl)imino]bis(methylene)]bis-, trisodium salt
Systematic Name English
Code System Code Type Description
PUBCHEM
44152281
Created by admin on Sat Dec 16 18:26:38 GMT 2023 , Edited by admin on Sat Dec 16 18:26:38 GMT 2023
PRIMARY
FDA UNII
C3VN83QHT8
Created by admin on Sat Dec 16 18:26:38 GMT 2023 , Edited by admin on Sat Dec 16 18:26:38 GMT 2023
PRIMARY
CAS
94087-50-0
Created by admin on Sat Dec 16 18:26:38 GMT 2023 , Edited by admin on Sat Dec 16 18:26:38 GMT 2023
PRIMARY
EPA CompTox
DTXSID60916552
Created by admin on Sat Dec 16 18:26:38 GMT 2023 , Edited by admin on Sat Dec 16 18:26:38 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE