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Details

Stereochemistry ACHIRAL
Molecular Formula C5H12NO6P2.3Na
Molecular Weight 313.0687
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRISODIUM HYDROGEN ((PROPYLIMINO)BIS(METHYLENE))DIPHOSPHONATE

SMILES

[Na+].[Na+].[Na+].CCCN(CP(O)([O-])=O)CP([O-])([O-])=O

InChI

InChIKey=ANMFEKVFUBQZDV-UHFFFAOYSA-K
InChI=1S/C5H15NO6P2.3Na/c1-2-3-6(4-13(7,8)9)5-14(10,11)12;;;/h2-5H2,1H3,(H2,7,8,9)(H2,10,11,12);;;/q;3*+1/p-3

HIDE SMILES / InChI

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

Molecular Formula C5H12NO6P2
Molecular Weight 244.0994
Charge -3
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 12:01:34 GMT 2023
Edited
by admin
on Sat Dec 16 12:01:34 GMT 2023
Record UNII
ZA74FS57WZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRISODIUM HYDROGEN ((PROPYLIMINO)BIS(METHYLENE))DIPHOSPHONATE
Systematic Name English
Phosphonic acid, [(propylimino)bis(methylene)]bis-, trisodium salt
Systematic Name English
Code System Code Type Description
PUBCHEM
44150109
Created by admin on Sat Dec 16 12:01:34 GMT 2023 , Edited by admin on Sat Dec 16 12:01:34 GMT 2023
PRIMARY
ECHA (EC/EINECS)
303-454-0
Created by admin on Sat Dec 16 12:01:34 GMT 2023 , Edited by admin on Sat Dec 16 12:01:34 GMT 2023
PRIMARY
EPA CompTox
DTXSID90240953
Created by admin on Sat Dec 16 12:01:34 GMT 2023 , Edited by admin on Sat Dec 16 12:01:34 GMT 2023
PRIMARY
CAS
94199-79-8
Created by admin on Sat Dec 16 12:01:34 GMT 2023 , Edited by admin on Sat Dec 16 12:01:34 GMT 2023
PRIMARY
FDA UNII
ZA74FS57WZ
Created by admin on Sat Dec 16 12:01:34 GMT 2023 , Edited by admin on Sat Dec 16 12:01:34 GMT 2023
PRIMARY