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Details

Stereochemistry RACEMIC
Molecular Formula C10H21NO6P2.4H4N
Molecular Weight 385.3782
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

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

SMILES

[NH4+].[NH4+].[NH4+].[NH4+].CCCCC(CC)CN(CP([O-])([O-])=O)CP([O-])([O-])=O

InChI

InChIKey=DQBPHDYPCHNJSD-UHFFFAOYSA-N
InChI=1S/C10H25NO6P2.4H3N/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);4*1H3

HIDE SMILES / InChI

Molecular Formula H4N
Molecular Weight 18.0385
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C10H21NO6P2
Molecular Weight 313.2244
Charge -4
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 20:07:26 GMT 2023
Edited
by admin
on Sat Dec 16 20:07:26 GMT 2023
Record UNII
YBT8BNH3UM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Tetraammonium [[(2-ethylhexyl)imino]bis(methylene)]bisphosphonate
Systematic Name English
Phosphonic acid, [[(2-ethylhexyl)imino]bis(methylene)]bis-, tetraammonium salt
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID30916100
Created by admin on Sat Dec 16 20:07:26 GMT 2023 , Edited by admin on Sat Dec 16 20:07:26 GMT 2023
PRIMARY
CAS
94202-08-1
Created by admin on Sat Dec 16 20:07:26 GMT 2023 , Edited by admin on Sat Dec 16 20:07:26 GMT 2023
PRIMARY
FDA UNII
YBT8BNH3UM
Created by admin on Sat Dec 16 20:07:26 GMT 2023 , Edited by admin on Sat Dec 16 20:07:26 GMT 2023
PRIMARY
PUBCHEM
44147509
Created by admin on Sat Dec 16 20:07:26 GMT 2023 , Edited by admin on Sat Dec 16 20:07:26 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE