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CHEMISTRY
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FINISHED DOSAGE FORMULATIONS

3 FDF Dossiers, 3 FDA Orange Book

3 FDF Dossiers
3 FDA Orange Book

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Chemistry

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Also known as: 103601-29-2, Tetrasodium pyrophosphate mixture with tin chloride

Molecular Formula

Cl₂Na₄O₇P₂Sn

Molecular Weight

455.52 g/mol

InChI Key

XMXUCGGSKRCPGQ-UHFFFAOYSA-H

1 2D Structure

Technescan Pyrophosphate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tetrasodium;dichlorotin;phosphonato phosphate

2.1.2 InChI

InChI=1S/2ClH.4Na.H4O7P2.Sn/c;;;;;;1-8(2,3)7-9(4,5)6;/h2*1H;;;;;(H2,1,2,3)(H2,4,5,6);/q;;4*+1;;+2/p-6

2.1.3 InChI Key

XMXUCGGSKRCPGQ-UHFFFAOYSA-H

2.1.4 Canonical SMILES

[O-]P(=O)([O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].Cl[Sn]Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 103601-29-2

2. Tetrasodium Pyrophosphate Mixture With Tin Chloride

2.3 Create Date

2005-08-09

3 Chemical and Physical Properties

Molecular Formula	Cl₂Na₄O₇P₂Sn
Molecular Weight	455.52 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	0
Exact Mass	455.710911 g/mol
Monoisotopic Mass	455.710911 g/mol
Topological Polar Surface Area	136 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	127
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	6