Trisodium hydrogen [[(1-methylethyl)imino]bis(methylene)]bisphosphonate

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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 [[(1-methylethyl)imino]bis(methylene)]bisphosphonate

Structure Search

SMILES

[Na+].[Na+].[Na+].CC(C)N(CP(O)([O-])=O)CP([O-])([O-])=O

InChI

InChIKey=JHPKDRCBFFEFES-UHFFFAOYSA-K

InChI=1S/C5H15NO6P2.3Na/c1-5(2)6(3-13(7,8)9)4-14(10,11)12;;;/h5H,3-4H2,1-2H3,(H2,7,8,9)(H2,10,11,12);;;/q;3*+1/p-3

HIDE SMILES / InChI

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

Molecular Formula	Na
Molecular Weight	22.98976928
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 `Tue Apr 01 19:04:58 GMT 2025` Edited by `admin` on `Tue Apr 01 19:04:58 GMT 2025`
Record UNII	KWD4L4UTT2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Trisodium hydrogen [[(1-methylethyl)imino]bis(methylene)]bisphosphonate

Systematic Name

English

Phosphonic acid, [[(1-methylethyl)imino]bis(methylene)]bis-, trisodium salt

Preferred Name

English

Code System Code Type Description

ECHA (EC/EINECS)

303-457-7

Created by admin on Tue Apr 01 19:04:58 GMT 2025 , Edited by admin on Tue Apr 01 19:04:58 GMT 2025

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CAS

94199-82-3

Created by admin on Tue Apr 01 19:04:58 GMT 2025 , Edited by admin on Tue Apr 01 19:04:58 GMT 2025

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PUBCHEM

44153912

Created by admin on Tue Apr 01 19:04:58 GMT 2025 , Edited by admin on Tue Apr 01 19:04:58 GMT 2025

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EPA CompTox

DTXSID10240955

Created by admin on Tue Apr 01 19:04:58 GMT 2025 , Edited by admin on Tue Apr 01 19:04:58 GMT 2025

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FDA UNII

KWD4L4UTT2

Created by admin on Tue Apr 01 19:04:58 GMT 2025 , Edited by admin on Tue Apr 01 19:04:58 GMT 2025

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